Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02282023

Ligand	Ligand name	Chain	PDB	Tanimoto
SXX	SINAPINATE	A,B	1WB4	0.72
CFA	(2,4-DICHLOROPHENOXY)ACETIC ACID	B,E	2P1N	0.7
EGT	2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL	A	1JNQ	0.71
IPH	PHENOL	A,B	2OLD	0.72
IPH	PHENOL	A,B,C,D	2PZV	0.72
IPH	PHENOL	A	1LI2	0.72
IPH	PHENOL	A	2J9N	0.72
IPH	PHENOL	A,B,C,D	2OMB	0.72
IPH	PHENOL	A	1JHX	0.72
IPH	PHENOL	A,B,C,D	2VE7	0.72
IPH	PHENOL	B,D,E,G,H,J,L	1AI0	0.72
IPH	PHENOL	A,B,C,D	1FOH	0.72
IPH	PHENOL	A	1V03	0.72
IPH	PHENOL	A,C,E,G,I,K	5AIY	0.72
IPH	PHENOL	B,D,F,H,J,L	1AIY	0.72
IPH	PHENOL	A,B	1XU5	0.72
IPH	PHENOL	A,B,C,D,E,G,I,K	1W8P	0.72
IPH	PHENOL	A,C,E,G,I,K	4AIY	0.72
IPH	PHENOL	A,B,C,D,E,F,G,H	1XDA	0.72
IPH	PHENOL	A	2AS3	0.72
IPH	PHENOL	A,B,C,D	1ZEG	0.72
IPH	PHENOL	A,B,C,D	1PN0	0.72
IPH	PHENOL	A,B,C,D	1XW7	0.72
IPH	PHENOL	A,C,E,G,I,K,M	1QIY	0.72
IPH	PHENOL	A,B,C,D	1Q4V	0.72
IPH	PHENOL	B	1AI7	0.72
IPH	PHENOL	A	1FJW	0.72
IPH	PHENOL	B,C,D	1RWE	0.72
IPH	PHENOL	A,B,C,D,E,G,H,I,K	1ZNJ	0.72
IPH	PHENOL	B,C,D	3GKY	0.72
IPH	PHENOL	A	1JHY	0.72
IPH	PHENOL	A,C,E,G,I,K	3AIY	0.72
IPH	PHENOL	A,B	2OMN	0.72
IPH	PHENOL	A,C,E,G,I,K	2AIY	0.72
IPH	PHENOL	A,B,D	1MPJ	0.72
IPH	PHENOL	A,B,C,D,F,G,H,J	1WAV	0.72
IPH	PHENOL	B,C,D	1LPH	0.72
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.74
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL	A,B	2OP3	0.74
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.72
DR6	ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)	C,I,T	1YTZ	0.71
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid	A	3CBG	0.76
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.79
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	A,C,E	1KYZ	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	A	1JT2	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	A	6ATJ	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	A,B	1GKL	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	A	1GWT	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	A,B,C	2BJH	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	A	1GW2	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	A	3CBG	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	A	2BNJ	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	A,B	1UWC	0.76
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID	A	7ATJ	0.76
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	0.79
MCT	4-METHYLCATECHOL	A	1L4G	0.71
MCT	4-METHYLCATECHOL	A	2EHZ	0.71
MCT	4-METHYLCATECHOL	A,B	1DMH	0.71
FP2	2-fluorophenol	A	3CPO	0.7
OXN	OXTOXYNOL-10	A	1IKT	0.72
OXN	OXTOXYNOL-10	A,B	2Q32	0.72
OXN	OXTOXYNOL-10	A,B	1UEH	0.72
OXN	OXTOXYNOL-10	A,B	2D4Q	0.72
EGC	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL	A,B	1JP3	0.72
EGC	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL	A	2W22	0.72
261	2-ethoxyphenol	X	2RB1	0.96
4HM	4-HYDROPEROXY-2-METHOXY-PHENOL	A	1HU9	0.81
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IME	0.71
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IMD	0.71
GMN	2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]	A,B	1N5M	0.71
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.7
3FA	3-FLUOROBENZENE-1,2-DIOL	A	2AS4	0.76
INK	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE	A	1HQD	0.77
CAQ	CATECHOL	B	2BUY	0.79
CAQ	CATECHOL	A	1KND	0.79
CAQ	CATECHOL	B	2BUQ	0.79
CAQ	CATECHOL	A,B	1DLT	0.79
CAQ	CATECHOL	A	1XEP	0.79
CAQ	CATECHOL	A	2PUM	0.79
HFL	5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-BENZENE-1,2-DIOL	C,F	1KYW	0.75
258	(2-chloroethoxy)benzene	X	2RAY	0.78
DCN	DICLOSAN	A,B,C,D	2PD4	0.82
FPN	4-FLUOROPHENOL	A,B	1XVD	0.7
POT	(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE	A	2NW6	0.77
LJ4	2,6-dibromo-4-phenoxyphenol	A,B	3CN3	0.73
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.83
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.83
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.83
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.83
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.83
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.83
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.83
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.83
268	2-phenoxyethanol	A	2RBR	0.88
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.72
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.72
TTO	(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM	A	1HYZ	0.72
TCL	TRICLOSAN	A,B,C,D	2PD3	0.77
TCL	TRICLOSAN	A,B	1P45	0.77
TCL	TRICLOSAN	A,B,C,D,E,F	2B35	0.77
TCL	TRICLOSAN	A,B	1D8A	0.77
TCL	TRICLOSAN	A,B	1C14	0.77
TCL	TRICLOSAN	A,B,C,D	2QIO	0.77
TCL	TRICLOSAN	A,B	1NHG	0.77
TCL	TRICLOSAN	A	1D7O	0.77
TCL	TRICLOSAN	A,B,C,D	2O2Y	0.77
TCL	TRICLOSAN	A,B	1UH5	0.77
TCL	TRICLOSAN	A,B	2O2S	0.77
TCL	TRICLOSAN	A,B,C,D	1QG6	0.77
TCL	TRICLOSAN	A,B,C,D,E,F,G,H	1QSG	0.77
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.71
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.71
EPL	DIETHYL 4-METHOXYPHENYL PHOSPHATE	A	2R1N	0.72
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.72
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.72
MBD	3-METHYLCATECHOL	A	1KNF	0.71
IOL	4-IODOPHENOL	A,B	1EWA	0.7
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.73
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.75
PYG	BENZENE-1,2,3-TRIOL	A,B,C,D,E,F,G,H,I,J,K,L	1TI4	0.74
PYG	BENZENE-1,2,3-TRIOL	M,N,O,P,Q,R,S,T,U,V,W,X	1VLE	0.74