Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02894022

Ligand	Ligand name	Chain	PDB	Tanimoto
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.72
EED	(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL	A,B	2QGT	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.78
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.78
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.76
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.75
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE	A,B	1O7P	0.75
BFL		A,B	1Q4G	0.76
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.81
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.77
IBP	IBUPROFEN	A	3FKX	0.74
IBP	IBUPROFEN	A,B	2BXG	0.74
IBP	IBUPROFEN	A,B	1EQG	0.74
IBP	IBUPROFEN	A,B,C	2WD9	0.74
IBP	IBUPROFEN	A	2PWS	0.74
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.71
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.71
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.85
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.73
SS1	1-PHENYLETHANOL	H	1UM5	0.74
ANF	ANTHRONE	H	2BJM	0.75
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.74
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL-3-PHENYLPROPYL ESTER	X	1YS1	0.73
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.79
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.79
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.79
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.79
PEL	2-PHENYL-ETHANOL	A	1EYW	0.79
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.79
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.74
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.71
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.75
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.75
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.73
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER	X	1YS2	0.73
EZT	(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL	A,B	2P15	0.7
BDB		A,B	1KE3	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.72
DRQ	(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL	A,B	2G5O	0.77
EQU	EQUILENIN	A,B	1OGX	0.7
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.7
EQU	EQUILENIN	A,B	1OH0	0.7
EQU	EQUILENIN	A	1W6Y	0.7
EQU	EQUILENIN	A,B	1CQS	0.7
EQU	EQUILENIN	A	1OGZ	0.7
EQU	EQUILENIN	A	1GS3	0.7
EQU	EQUILENIN	A	1OHO	0.7
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.87
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.8
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.8
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.8
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.8
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.8
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.8
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.8
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.8
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.8
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.8
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.8
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.74
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'-MONOPHOSPHATE	A,B	1FZS	0.72
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'-MONOPHOSPHATE	A,B	1FZL	0.72
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.7
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.71
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.71
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.71
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.71
AN3	ANTHRACENE	A,B	2HMN	0.73
AN3	ANTHRACENE	A,B	2HMM	0.73
EST	ESTRADIOL	A,B	1GWR	0.76
EST	ESTRADIOL	A	1FDS	0.76
EST	ESTRADIOL	A,B,C	1G50	0.76
EST	ESTRADIOL	A,B,C,D,E,F	1ERE	0.76
EST	ESTRADIOL	A,B	1A52	0.76
EST	ESTRADIOL	A	1FDT	0.76
EST	ESTRADIOL	A	2OCF	0.76
EST	ESTRADIOL	A,B,C	1QKU	0.76
EST	ESTRADIOL	A,B,C,D,L	1E6W	0.76
EST	ESTRADIOL	A	1IOL	0.76
EST	ESTRADIOL	H	1JNN	0.76
EST	ESTRADIOL	B	1QKT	0.76
EST	ESTRADIOL	A	1FDW	0.76
EST	ESTRADIOL	A,B	1AQU	0.76
EST	ESTRADIOL	A	1LHU	0.76
EST	ESTRADIOL	A	1A27	0.76
EST	ESTRADIOL	L	1JGL	0.76
EST	ESTRADIOL	A,B,E,F	1PCG	0.76
EST	ESTRADIOL	A,B,C,D	1FDU	0.76
EST	ESTRADIOL	A	2J7X	0.76
EST	ESTRADIOL	A,B	2D06	0.76
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.71
B28		A,B	2E9A	0.82
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A,P,T	2I9G	0.82
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	1HWV	0.82
PEY	PHENANTHRENE	A,B	2HML	0.73
PEY	PHENANTHRENE	A,B	2HMK	0.73
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1MXJ	0.82
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	2ROU	0.82
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	1HX4	0.82
E3O	(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL	A	2J7Y	0.74
B08		A,B	2E99	0.81
ESL	ESTRIOL	A	1X8V	0.74
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1DL4	0.82
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1I7V	0.82
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1QBY	0.82
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-8,9,10-TRIOL	A	1DJD	0.82
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.77
OX1		H,Y	1LO2	0.72
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.7
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.75
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.74
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.78
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.8
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL	A	1YSG	0.71
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.72
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.72
ECS	2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE	A,B,C,D	2BW7	0.72
1NP	1-NAPHTHOL	X	2ZVQ	0.7
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.77
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.77