Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00044744

Ligand	Ligand name	Chain	PDB	Tanimoto
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.8
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.8
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.75
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.75
CRS	M-CRESOL	A,B,C,D	1EV3	0.74
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.74
CRS	M-CRESOL	A,B	1UZ9	0.74
CRS	M-CRESOL	A,B,C,D	1ZEH	0.74
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.74
CRS	M-CRESOL	A,C,D,E	7INS	0.74
CRS	M-CRESOL	A,B,C,D,E,G,I,K	1EV6	0.74
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.7
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL	A	1YSG	0.74
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.73
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.78
4FC		A	1YSG	0.71
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-8,9,10-TRIOL	A	1DJD	0.7
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1DL4	0.7
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1I7V	0.7
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1QBY	0.7
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.73
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.73
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.73
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.83
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.83
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.83
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.73
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	2ROU	0.7
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	1HX4	0.7
8PP	2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL]PHENOL	A,B,C,D	1Y0G	0.75
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A,P,T	2I9G	0.7
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	A	1HWV	0.7
269	(1R)-3-chloro-1-phenylpropan-1-ol	A	2RBS	0.76
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL	A	1MXJ	0.7
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE	A,B	1O7P	0.78
MBD	3-METHYLCATECHOL	A	1KNF	0.7
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.81
AEH	4-(2-aminoethyl)-2-ethylphenol	A	3BUG	0.7
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.76
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.76
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.76
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.76
PEL	2-PHENYL-ETHANOL	A	1EYW	0.76
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.76
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.78
ANF	ANTHRONE	H	2BJM	0.74
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.77
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.77
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.7
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.7
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.7
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.75
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
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.81
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.8
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.75
ETY	4-ethylphenol	A,B,C,D	2RA6	0.77
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.71
FLP	FLURBIPROFEN	A,B	1CQE	0.71
FLP	FLURBIPROFEN	A,B	1EQH	0.71
FLP	FLURBIPROFEN	A,B	2AYL	0.71
FLP	FLURBIPROFEN	A	1DVT	0.71
FLP	FLURBIPROFEN	A	1R9O	0.71
FBC		A,B	2B9A	0.72
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.71
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.74
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.74
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.77
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.75
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.73
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.85
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.73
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.73
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.74
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.74
1NP	1-NAPHTHOL	X	2ZVQ	0.72
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.8
341	(3,5-difluorophenyl)methanol	C	3EON	0.79
SS1	1-PHENYLETHANOL	H	1UM5	0.83
IBP	IBUPROFEN	A	3FKX	0.71
IBP	IBUPROFEN	A,B	2BXG	0.71
IBP	IBUPROFEN	A,B	1EQG	0.71
IBP	IBUPROFEN	A,B,C	2WD9	0.71
IBP	IBUPROFEN	A	2PWS	0.71
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.76
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.76
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.76
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.76
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
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.71
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.75
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.74
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.79
2LP	2-ALLYLPHENOL	A	1OV5	0.77
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.71
26C		A,B	2F7I	0.72
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.75
PCR	P-CRESOL	A	1JHV	0.75
PCR	P-CRESOL	A	1JHU	0.75
PCR	P-CRESOL	A,B,C,D	1DIQ	0.75