Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005671

Ligand	Ligand name	Chain	PDB	Tanimoto
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.99
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.99
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
FPN	4-FLUOROPHENOL	A,B	1XVD	0.76
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1F2W	0.74
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2F14	0.74
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1BV3	0.74
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2AW1	0.74
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1ZE8	0.74
ETY	4-ethylphenol	A,B,C,D	2RA6	0.76
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.88
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.88
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
269	(1R)-3-chloro-1-phenylpropan-1-ol	A	2RBS	0.82
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.74
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.74
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.74
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.74
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.74
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.74
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.72
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.72
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.72
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.72
BEZ	BENZOIC ACID	A,B	2F8D	0.74
BEZ	BENZOIC ACID	A,B	1A8U	0.74
BEZ	BENZOIC ACID	A,B	1REE	0.74
BEZ	BENZOIC ACID	A	1L7Q	0.74
BEZ	BENZOIC ACID	A	1I69	0.74
BEZ	BENZOIC ACID	H,L	1RUL	0.74
BEZ	BENZOIC ACID	A,B	3CCF	0.74
BEZ	BENZOIC ACID	A	1W9Q	0.74
BEZ	BENZOIC ACID	A,B,G,J	2DU8	0.74
BEZ	BENZOIC ACID	H,L	1RUA	0.74
BEZ	BENZOIC ACID	A,B,C,D,E,F,G,H	1H4O	0.74
BEZ	BENZOIC ACID	H,L	1RU9	0.74
BEZ	BENZOIC ACID	A,B,C,D	2V32	0.74
BEZ	BENZOIC ACID	A	2QMQ	0.74
BEZ	BENZOIC ACID	A	1UKB	0.74
BEZ	BENZOIC ACID	A,B	1RED	0.74
BEZ	BENZOIC ACID	A,B	1OC3	0.74
BEZ	BENZOIC ACID	A,B	1REF	0.74
BEZ	BENZOIC ACID	A,B	2O02	0.74
BEZ	BENZOIC ACID	A,B	2VJ1	0.74
BEZ	BENZOIC ACID	A,B,C	1WSP	0.74
BEZ	BENZOIC ACID	A	1HZ4	0.74
BEZ	BENZOIC ACID	A	2Q38	0.74
BEZ	BENZOIC ACID	A,B,C,D	1UUJ	0.74
BEZ	BENZOIC ACID	A,B	2QL8	0.74
BEZ	BENZOIC ACID	A	2Q0I	0.74
BEZ	BENZOIC ACID	A,B	1S8F	0.74
BEZ	BENZOIC ACID	D,E,F,G,H	1DJR	0.74
BEZ	BENZOIC ACID	A,B,C,D,E,F,G,H,I	1ONI	0.74
BEZ	BENZOIC ACID	A,B,C,D	1I7Q	0.74
BEZ	BENZOIC ACID	A,B,C,D	2RHM	0.74
BEZ	BENZOIC ACID	A,B	2F78	0.74
BEZ	BENZOIC ACID	A,B	2VL2	0.74
BEZ	BENZOIC ACID	A	1HD2	0.74
BEZ	BENZOIC ACID	A	1JU4	0.74
BEZ	BENZOIC ACID	H,L	2AJY	0.74
BEZ	BENZOIC ACID	A,B,C	3GV1	0.74
BEZ	BENZOIC ACID	A	2Q6U	0.74
BEZ	BENZOIC ACID	A,B	1VE9	0.74
BEZ	BENZOIC ACID	A,B	1S9A	0.74
BEZ	BENZOIC ACID	H,L,M	1OP3	0.74
BEZ	BENZOIC ACID	A	1W9E	0.74
BEZ	BENZOIC ACID	A,B,C,D	2V2G	0.74
BEZ	BENZOIC ACID	H,L	2AK1	0.74
BEZ	BENZOIC ACID	A,B,C,D,E,F,G,H	2V41	0.74
BEZ	BENZOIC ACID	A,B	1GYX	0.74
BEZ	BENZOIC ACID	A	1V1T	0.74
BEZ	BENZOIC ACID	A,B,C,D,E,F,G,H,I,J,K,L	1YAJ	0.74
BEZ	BENZOIC ACID	A,B	1HKQ	0.74
BEZ	BENZOIC ACID	H,L	1RUK	0.74
BEZ	BENZOIC ACID	A	2Q1B	0.74
BEZ	BENZOIC ACID	H,L	1RUM	0.74
BEZ	BENZOIC ACID	A,B	2F7A	0.74
BEZ	BENZOIC ACID	A,B,C,D,E,F,G,H	1KIF	0.74
BEZ	BENZOIC ACID	A,B	2V7B	0.74
BEZ	BENZOIC ACID	H	1NCW	0.74
BEZ	BENZOIC ACID	A,B	1TMX	0.74
BEZ	BENZOIC ACID	A	1URM	0.74
BEZ	BENZOIC ACID	A	1W9O	0.74
BEZ	BENZOIC ACID	A,B,C,D	1GXS	0.74
BEZ	BENZOIC ACID	H	1RUP	0.74
BEZ	BENZOIC ACID	A,B,C,D	1KQB	0.74
BEZ	BENZOIC ACID	A	2Q9R	0.74
BEZ	BENZOIC ACID	D,H	2OK6	0.74
BEZ	BENZOIC ACID	A,B	2Q0J	0.74
MCT	4-METHYLCATECHOL	A	1L4G	0.71
MCT	4-METHYLCATECHOL	A	2EHZ	0.71
MCT	4-METHYLCATECHOL	A,B	1DMH	0.71
DHR	(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE	A,B	1E55	0.74
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL	A,B	2AN5	0.7
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.75
FFP	2,6-DIFLUOROPHENOL	A	2INX	0.76
CRS	M-CRESOL	A,B,C,D	1EV3	0.77
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.77
CRS	M-CRESOL	A,B	1UZ9	0.77
CRS	M-CRESOL	A,B,C,D	1ZEH	0.77
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.77
CRS	M-CRESOL	A,C,D,E	7INS	0.77
CRS	M-CRESOL	A,B,C,D,E,G,I,K	1EV6	0.77
SMN	(S)-MANDELIC ACID	A	1MDL	0.74
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.77
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.73
MBD	3-METHYLCATECHOL	A	1KNF	0.72
SS1	1-PHENYLETHANOL	H	1UM5	0.89
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.8
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.8
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.72
341	(3,5-difluorophenyl)methanol	C	3EON	0.97
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL	A,B	2AN3	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	0.74
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.71
RMN	(R)-MANDELIC ACID	A	1MDL	0.74
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	1MCZ	0.74
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.84
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE	A,B	1O7P	0.8
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.76
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.76
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.76
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.76
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.76
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.76
FFD	(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-O-phosphono-D-erythro-pentitol	A,B,C,D,E,F,G,H,I,J,K,L	2PIS	0.71
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.76
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.84
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.99
4BZ	4-(HYDROXYMETHYL)BENZAMIDINE	A	1S6H	0.71
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.73
4FC		A	1YSG	0.7
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.89
PCR	P-CRESOL	A	1JHV	0.78
PCR	P-CRESOL	A	1JHU	0.78
PCR	P-CRESOL	A,B,C,D	1DIQ	0.78
FP2	2-fluorophenol	A	3CPO	0.76
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.74
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.79
PAC	2-PHENYLACETIC ACID	B	1PNL	0.7
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.7
PAC	2-PHENYLACETIC ACID	B	1FXH	0.7
PAC	2-PHENYLACETIC ACID	A	2ISF	0.7
PAC	2-PHENYLACETIC ACID	A	2INE	0.7
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.8
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.92
2LP	2-ALLYLPHENOL	A	1OV5	0.78
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.84
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.79
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.89
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE	A	2OPA	0.73
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE	A,B,C	1MFI	0.73
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE	A,B	1GYY	0.73
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL	A	1YSG	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.84
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.84
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.72
3FA	3-FLUOROBENZENE-1,2-DIOL	A	2AS4	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.89
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.89
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.89
MBO	MERCURIBENZOIC ACID	A	2QO8	0.74
MBO	MERCURIBENZOIC ACID	A	1LUG	0.74
MBO	MERCURIBENZOIC ACID	A	2HOC	0.74
MBO	MERCURIBENZOIC ACID	A	3EFI	0.74
MBO	MERCURIBENZOIC ACID	A	3BL0	0.74
MBO	MERCURIBENZOIC ACID	A,B,C,D,E,F	1NAQ	0.74
MBO	MERCURIBENZOIC ACID	A	3CAJ	0.74
MBO	MERCURIBENZOIC ACID	A	1DR7	0.74
MBO	MERCURIBENZOIC ACID	A	2HL4	0.74
MBO	MERCURIBENZOIC ACID	A	2GD8	0.74
MBO	MERCURIBENZOIC ACID	A	2QP6	0.74
MBO	MERCURIBENZOIC ACID	A	2HD6	0.74
MBO	MERCURIBENZOIC ACID	A	3C7P	0.74
MBO	MERCURIBENZOIC ACID	A,B	2JHN	0.74
MBO	MERCURIBENZOIC ACID	A	1DR6	0.74
MBO	MERCURIBENZOIC ACID	A	2HNC	0.74
MBO	MERCURIBENZOIC ACID	A	2QOA	0.74
295	(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid	A,B	2RJR	0.75
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.86
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.86
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.86
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.86
PEL	2-PHENYL-ETHANOL	A	1EYW	0.86
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.86