Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00455636

Ligand	Ligand name	Chain	PDB	Tanimoto
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL	A,B	2AN3	0.74
NPY	NAPHTHALENE	A,B	1O7G	0.74
B08		A,B	2E99	0.77
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.71
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL	A	1YSG	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.8
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.8
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.71
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.7
FLP	FLURBIPROFEN	A,B	1CQE	0.7
FLP	FLURBIPROFEN	A,B	1EQH	0.7
FLP	FLURBIPROFEN	A,B	2AYL	0.7
FLP	FLURBIPROFEN	A	1DVT	0.7
FLP	FLURBIPROFEN	A	1R9O	0.7
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.72
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.72
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.7
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.8
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.75
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.75
ESL	ESTRIOL	A	1X8V	0.71
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL	A,B	2AN5	0.74
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.89
E3O	(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL	A	2J7Y	0.71
EED	(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL	A,B	2QGT	0.7
IBP	IBUPROFEN	A	3FKX	0.7
IBP	IBUPROFEN	A,B	2BXG	0.7
IBP	IBUPROFEN	A,B	1EQG	0.7
IBP	IBUPROFEN	A,B,C	2WD9	0.7
IBP	IBUPROFEN	A	2PWS	0.7
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
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.7
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.74
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.81
DRQ	(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL	A,B	2G5O	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.81
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.81
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.81
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.81
PEL	2-PHENYL-ETHANOL	A	1EYW	0.81
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.81
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.72
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.7
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
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.7
ANF	ANTHRONE	H	2BJM	0.76
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
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.73
269	(1R)-3-chloro-1-phenylpropan-1-ol	A	2RBS	0.73
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.78
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.71
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'-MONOPHOSPHATE	A,B	1FZS	0.72
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'-MONOPHOSPHATE	A,B	1FZL	0.72
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
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.7
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.7
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.73
AN3	ANTHRACENE	A,B	2HMN	0.73
AN3	ANTHRACENE	A,B	2HMM	0.73
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-8,9,10-TRIOL	A	1DJD	0.81
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.73
PEY	PHENANTHRENE	A,B	2HML	0.73
PEY	PHENANTHRENE	A,B	2HMK	0.73
BFL		A,B	1Q4G	0.72
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.74
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.89
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.77
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9,A,B,C,H,J,K,L,M,N,O,Q,R,S,T,U,Y,Z	1VQ6	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A,B,C,D,F,H,J,K,L,M,N,O,Q,R,S,T,U,Y,Z	1VQP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5,9,A,B,C,D,F,H,J,K,L,M,N,O,Q,R,S,T,U,Y,Z	1VQN	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.71
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.8
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1MXJ	0.81
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A,P,T	2I9G	0.81
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	1HWV	0.81
1NP	1-NAPHTHOL	X	2ZVQ	0.77
D1N	NAPHTHALENE-1,2-DIOL	A	2EI1	0.72
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	2ROU	0.81
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	1HX4	0.81
B28		A,B	2E9A	0.76
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1DL4	0.81
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1I7V	0.81
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1QBY	0.81
SS1	1-PHENYLETHANOL	H	1UM5	0.8
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.8
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	0.7
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.72
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.73
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE	A,B	1O7P	0.79