Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002658

Ligand	Ligand name	Chain	PDB	Tanimoto
2CH	2-CHLOROPHENOL	A	1WBO	0.95
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.72
PYG	BENZENE-1,2,3-TRIOL	A,B,C,D,E,F,G,H,I,J,K,L	1TI4	0.76
PYG	BENZENE-1,2,3-TRIOL	M,N,O,P,Q,R,S,T,U,V,W,X	1VLE	0.76
PCI	PENTACHLOROPHENOL	A,B	2GWH	0.75
PCI	PENTACHLOROPHENOL	A,B,C	1Y5N	0.75
PCI	PENTACHLOROPHENOL	A,B,C	1Y4Z	0.75
PCI	PENTACHLOROPHENOL	A,B,C,E,F,G	2VPY	0.75
HTS	2-MERCAPTOPHENOL	A	2OSM	0.78
NE2	3,3',4',5-TETRACHLOROBIPHENYL-4-OL	A,B	2GAB	0.72
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.7
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.7
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.7
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.7
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.74
NE1	2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL	A,B	2G9K	0.71
ETY	4-ethylphenol	A,B,C,D	2RA6	0.76
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL	A,B	1G3M	0.73
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL	A,B	2G5U	0.73
RCO	RESORCINOL	A,B,C,E,F,G,H,I,J,K	2OLY	0.8
RCO	RESORCINOL	1,3,A,B,C,D,E,G,H,I,K,Q,R,S,T,U,X,Y	2OM1	0.8
RCO	RESORCINOL	A,B,C,E,G,H,I,K	2OLZ	0.8
RCO	RESORCINOL	A,B,C,D,E,F	2OMH	0.8
RCO	RESORCINOL	A,B,C,E,G,H,I,J,K	2OMI	0.8
RCO	RESORCINOL	A,B,C,D,E,G,I,J,K	1EVR	0.8
RCO	RESORCINOL	A,C,E,G,I,K,M	1QIZ	0.8
RCO	RESORCINOL	1,3,A,B,C,D,E,G,H,I,K,Q,R,S,U,X,Y	2OM0	0.8
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.73
HC4		A	1TS6	0.7
HC4		A	3PHY	0.7
HC4		A	3PYP	0.7
HC4		A	1T1C	0.7
HC4		A	1OT6	0.7
HC4		A	1TS0	0.7
HC4		A	1T1A	0.7
HC4		A	2PYP	0.7
HC4		A	2ZOI	0.7
HC4		A	1OTI	0.7
HC4		A	1XFQ	0.7
HC4		A	2D01	0.7
HC4		A,B,C,D,E,F,G,H	2O7B	0.7
HC4		A	2ZOH	0.7
HC4		A	1GSW	0.7
HC4		A	2QJ7	0.7
HC4		A	1F9I	0.7
HC4		X	1UWP	0.7
HC4		A	2PHY	0.7
HC4		A	1T1B	0.7
HC4		A	1F98	0.7
HC4		A	1T19	0.7
HC4		X	1UWN	0.7
HC4		A,B,C,D,E,F,G,H	2O7F	0.7
HC4		A	1UGU	0.7
HC4		A	1TS8	0.7
HC4		A,B	1OTD	0.7
HC4		A	1OTE	0.7
HC4		A	1GSX	0.7
HC4		A	1TS7	0.7
HC4		A	2PYR	0.7
HC4		A	1S4S	0.7
HC4		A	1GSV	0.7
HC4		A	2I9V	0.7
HC4		A	2QWS	0.7
HC4		A	1XFN	0.7
HC4		A	1S4R	0.7
HC4		A	1T18	0.7
HC4		A	1OTA	0.7
HC4		A	1D7E	0.7
HC4		A	1S1Z	0.7
HC4		A,B,C	1MZU	0.7
HC4		A,B	1ODV	0.7
HC4		A,B	2J3J	0.7
HC4		A	2QJ5	0.7
HC4		A	1OTB	0.7
HC4		A	2D02	0.7
HC4		A	1OT9	0.7
HC4		A	1NWZ	0.7
HC4		A	1S1Y	0.7
BTT	BENZENE-1,2,4,5-TETROL	A,B,C,D,E,F,G,H,I,J,K,L	1TI6	0.71
BTT	BENZENE-1,2,4,5-TETROL	M,N,O,P,Q,R,S,T,U,V,W,X	1VLF	0.71
HPS	PHENYL DIHYDROGEN PHOSPHATE	A	1O4O	0.74
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.72
MCT	4-METHYLCATECHOL	A	1L4G	0.71
MCT	4-METHYLCATECHOL	A	2EHZ	0.71
MCT	4-METHYLCATECHOL	A,B	1DMH	0.71
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	0.72
FFP	2,6-DIFLUOROPHENOL	A	2INX	0.82
DCN	DICLOSAN	A,B,C,D	2PD4	0.75
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.76
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.76
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.73
CAQ	CATECHOL	B	2BUY	0.81
CAQ	CATECHOL	A	1KND	0.81
CAQ	CATECHOL	B	2BUQ	0.81
CAQ	CATECHOL	A,B	1DLT	0.81
CAQ	CATECHOL	A	1XEP	0.81
CAQ	CATECHOL	A	2PUM	0.81
FP2	2-fluorophenol	A	3CPO	0.84
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.7
2LP	2-ALLYLPHENOL	A	1OV5	0.76
PSY	phenyl ethenesulfonate	A	3BM8	0.7
PSY	phenyl ethenesulfonate	A	3BLT	0.7
MBD	3-METHYLCATECHOL	A	1KNF	0.7
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.73
TBP	2,4,6-TRIBROMOPHENOL	L	1E5A	0.71
TH0	4-MERCAPTOBENZENE-1,3-DIOL	A	2OSF	0.72
PCR	P-CRESOL	A	1JHV	0.77
PCR	P-CRESOL	A	1JHU	0.77
PCR	P-CRESOL	A,B,C,D	1DIQ	0.77
TTO	(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM	A	1HYZ	0.7
IOL	4-IODOPHENOL	A,B	1EWA	0.84
TCL	TRICLOSAN	A,B,C,D	2PD3	0.72
TCL	TRICLOSAN	A,B	1P45	0.72
TCL	TRICLOSAN	A,B,C,D,E,F	2B35	0.72
TCL	TRICLOSAN	A,B	1D8A	0.72
TCL	TRICLOSAN	A,B	1C14	0.72
TCL	TRICLOSAN	A,B,C,D	2QIO	0.72
TCL	TRICLOSAN	A,B	1NHG	0.72
TCL	TRICLOSAN	A	1D7O	0.72
TCL	TRICLOSAN	A,B,C,D	2O2Y	0.72
TCL	TRICLOSAN	A,B	1UH5	0.72
TCL	TRICLOSAN	A,B	2O2S	0.72
TCL	TRICLOSAN	A,B,C,D	1QG6	0.72
TCL	TRICLOSAN	A,B,C,D,E,F,G,H	1QSG	0.72
IPH	PHENOL	A,B	2OLD	0.87
IPH	PHENOL	A,B,C,D	2PZV	0.87
IPH	PHENOL	A	1LI2	0.87
IPH	PHENOL	A	2J9N	0.87
IPH	PHENOL	A,B,C,D	2OMB	0.87
IPH	PHENOL	A	1JHX	0.87
IPH	PHENOL	A,B,C,D	2VE7	0.87
IPH	PHENOL	B,D,E,G,H,J,L	1AI0	0.87
IPH	PHENOL	A,B,C,D	1FOH	0.87
IPH	PHENOL	A	1V03	0.87
IPH	PHENOL	A,C,E,G,I,K	5AIY	0.87
IPH	PHENOL	B,D,F,H,J,L	1AIY	0.87
IPH	PHENOL	A,B	1XU5	0.87
IPH	PHENOL	A,B,C,D,E,G,I,K	1W8P	0.87
IPH	PHENOL	A,C,E,G,I,K	4AIY	0.87
IPH	PHENOL	A,B,C,D,E,F,G,H	1XDA	0.87
IPH	PHENOL	A	2AS3	0.87
IPH	PHENOL	A,B,C,D	1ZEG	0.87
IPH	PHENOL	A,B,C,D	1PN0	0.87
IPH	PHENOL	A,B,C,D	1XW7	0.87
IPH	PHENOL	A,C,E,G,I,K,M	1QIY	0.87
IPH	PHENOL	A,B,C,D	1Q4V	0.87
IPH	PHENOL	B	1AI7	0.87
IPH	PHENOL	A	1FJW	0.87
IPH	PHENOL	B,C,D	1RWE	0.87
IPH	PHENOL	A,B,C,D,E,G,H,I,K	1ZNJ	0.87
IPH	PHENOL	B,C,D	3GKY	0.87
IPH	PHENOL	A	1JHY	0.87
IPH	PHENOL	A,C,E,G,I,K	3AIY	0.87
IPH	PHENOL	A,B	2OMN	0.87
IPH	PHENOL	A,C,E,G,I,K	2AIY	0.87
IPH	PHENOL	A,B,D	1MPJ	0.87
IPH	PHENOL	A,B,C,D,F,G,H,J	1WAV	0.87
IPH	PHENOL	B,C,D	1LPH	0.87
3CH	3-CHLOROPHENOL	A	1LI3	0.97
43M	4-CHLORO-3-METHYLPHENOL	A	2P7A	0.88
TC7	2,4,5-trichlorophenol	A	2VCE	0.85
BML	4-BROMOPHENOL	A,B,E	3DHH	0.77
BML	4-BROMOPHENOL	A,B	1XU3	0.77
BML	4-BROMOPHENOL	A,B	1T0S	0.77
FPN	4-FLUOROPHENOL	A,B	1XVD	0.84
3FA	3-FLUOROBENZENE-1,2-DIOL	A	2AS4	0.78
2BR	2-BROMOPHENOL	A,B,C,D	2A9W	0.77
CRS	M-CRESOL	A,B,C,D	1EV3	0.76
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.76
CRS	M-CRESOL	A,B	1UZ9	0.76
CRS	M-CRESOL	A,B,C,D	1ZEH	0.76
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.76
CRS	M-CRESOL	A,C,D,E	7INS	0.76
CRS	M-CRESOL	A,B,C,D,E,G,I,K	1EV6	0.76