Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03274040

Ligand	Ligand name	Chain	PDB	Tanimoto
OXE	ORTHO-XYLENE	A,B	3E0X	0.75
OXE	ORTHO-XYLENE	A	188L	0.75
B28		A,B	2E9A	0.73
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.7
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.7
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.75
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.81
BDB		A,B	1KE3	0.74
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.72
FLP	FLURBIPROFEN	A,B	1CQE	0.72
FLP	FLURBIPROFEN	A,B	1EQH	0.72
FLP	FLURBIPROFEN	A,B	2AYL	0.72
FLP	FLURBIPROFEN	A	1DVT	0.72
FLP	FLURBIPROFEN	A	1R9O	0.72
791	2-PHENYLMALONIC ACID	A	1O4P	0.72
CRS	M-CRESOL	A,B,C,D	1EV3	0.73
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.73
CRS	M-CRESOL	A,B	1UZ9	0.73
CRS	M-CRESOL	A,B,C,D	1ZEH	0.73
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.73
CRS	M-CRESOL	A,C,D,E	7INS	0.73
CRS	M-CRESOL	A,B,C,D,E,G,I,K	1EV6	0.73
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.77
PXY	PARA-XYLENE	A	187L	0.75
PXY	PARA-XYLENE	A	225L	0.75
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	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.7
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	0.7
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	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	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
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.72
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.77
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.78
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.78
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.78
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.78
HCI	HYDROCINNAMIC ACID	A	1TOI	0.78
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.78
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.78
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL	A,B,I	1ZSR	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL	I	1ZJ7	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL	I	1ZLF	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL	I	1HEG	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL	I	1FQX	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL	A,B,I	1IIQ	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL	I	1HEF	0.73
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.71
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.71
IBP	IBUPROFEN	A	3FKX	0.78
IBP	IBUPROFEN	A,B	2BXG	0.78
IBP	IBUPROFEN	A,B	1EQG	0.78
IBP	IBUPROFEN	A,B,C	2WD9	0.78
IBP	IBUPROFEN	A	2PWS	0.78
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.75
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.78
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.73
FPR	PROPYLBENZENE	C	1RHK	0.77
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.71
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-S-METHANE	A	1CPS	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL	A,B,I	1ZSF	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL	A	1JLD	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL	A,B	1IDA	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL	A,B	1IDB	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL	A,B,I	1Z8C	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL	A,B,I	1ZBG	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL	A,B,I	1ZPK	0.73
MBN	TOLUENE	A,B	3D7O	0.74
MBN	TOLUENE	A,B	1R1X	0.74
MBN	TOLUENE	A,B	1JLX	0.74
MBN	TOLUENE	A,B,C,D	3D17	0.74
MBN	TOLUENE	A,B	2VRL	0.74
MBN	TOLUENE	A,I	2Z3E	0.74
MBN	TOLUENE	A,B	1YZI	0.74
MBN	TOLUENE	A,B	2DN1	0.74
MBN	TOLUENE	A,B	3EN1	0.74
341	(3,5-difluorophenyl)methanol	C	3EON	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
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.78
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.72
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.72
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
B08		A,B	2E99	0.73
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
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.77
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.74
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.72
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.81
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.84
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.84
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.84
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.84
PEL	2-PHENYL-ETHANOL	A	1EYW	0.84
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.84
PCR	P-CRESOL	A	1JHV	0.72
PCR	P-CRESOL	A	1JHU	0.72
PCR	P-CRESOL	A,B,C,D	1DIQ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.81
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.81
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.81
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.81
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.81
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.81
PAC	2-PHENYLACETIC ACID	B	1PNL	0.75
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.75
PAC	2-PHENYLACETIC ACID	B	1FXH	0.75
PAC	2-PHENYLACETIC ACID	A	2ISF	0.75
PAC	2-PHENYLACETIC ACID	A	2INE	0.75
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.72
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.76
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.71
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.73
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL-3-PHENYLPROPYL ESTER	X	1YS1	0.79
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.79
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER	X	1YS2	0.79
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.72
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.72
2LP	2-ALLYLPHENOL	A	1OV5	0.74
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.79
PHL	L-PHENYLALANINOL	A,B	1JOH	0.72
PHL	L-PHENYLALANINOL	I	3APR	0.72
PHL	L-PHENYLALANINOL	A	1DLZ	0.72
PHL	L-PHENYLALANINOL	A	1IH9	0.72
PHL	L-PHENYLALANINOL	A	1OB4	0.72
PHL	L-PHENYLALANINOL	I	2ER6	0.72
PHL	L-PHENYLALANINOL	A	1R9U	0.72
PHL	L-PHENYLALANINOL	A	1OB7	0.72
PHL	L-PHENYLALANINOL	A,B	1OB6	0.72
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.72
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.78
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.72
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.78
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.78
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.78
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.79
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.79
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.79
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.76
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-2,4,6-TRIENOIC ACID	A	1NQ7	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.71
N4B	N-BUTYLBENZENE	A	186L	0.77
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.75
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE	A,B	1O7P	0.71
ETY	4-ethylphenol	A,B,C,D	2RA6	0.74
SS1	1-PHENYLETHANOL	H	1UM5	0.8
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.78
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.7
PYL	PHENYLETHANE	C	1B07	0.77
PYL	PHENYLETHANE	A,B	2VRM	0.77
PYL	PHENYLETHANE	A	1NHB	0.77
BFL		A,B	1Q4G	0.74
I4B	ISOBUTYLBENZENE	A	184L	0.8