Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011919

Ligand	Ligand name	Chain	PDB	Tanimoto
PHL	L-PHENYLALANINOL	A,B	1JOH	0.71
PHL	L-PHENYLALANINOL	I	3APR	0.71
PHL	L-PHENYLALANINOL	A	1DLZ	0.71
PHL	L-PHENYLALANINOL	A	1IH9	0.71
PHL	L-PHENYLALANINOL	A	1OB4	0.71
PHL	L-PHENYLALANINOL	I	2ER6	0.71
PHL	L-PHENYLALANINOL	A	1R9U	0.71
PHL	L-PHENYLALANINOL	A	1OB7	0.71
PHL	L-PHENYLALANINOL	A,B	1OB6	0.71
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.71
PYL	PHENYLETHANE	C	1B07	0.8
PYL	PHENYLETHANE	A,B	2VRM	0.8
PYL	PHENYLETHANE	A	1NHB	0.8
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.81
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.73
PBC	PHENYL BORONIC ACID	A	2A32	0.7
PBC	PHENYL BORONIC ACID	A	1JU3	0.7
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.7
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.71
DEN	INDENE	A	183L	0.74
I4B	ISOBUTYLBENZENE	A	184L	0.78
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.7
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N,O,P	1GUL	0.75
N4B	N-BUTYLBENZENE	A	186L	0.8
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.74
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.74
341	(3,5-difluorophenyl)methanol	C	3EON	0.72
OXE	ORTHO-XYLENE	A,B	3E0X	0.78
OXE	ORTHO-XYLENE	A	188L	0.78
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.72
269	(1R)-3-chloro-1-phenylpropan-1-ol	A	2RBS	0.71
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.83
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.75
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.76
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.76
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F,G,H	2O78	0.76
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.76
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.7
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.7
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.7
787	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID	A	1O4R	0.73
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.74
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.74
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.7
PMS	BENZYLSULFINIC ACID	B	1PNM	0.72
PMS	BENZYLSULFINIC ACID	A,B	1SH7	0.72
PMS	BENZYLSULFINIC ACID	B,C	1BB0	0.72
PMS	BENZYLSULFINIC ACID	A,B	1S2N	0.72
PMS	BENZYLSULFINIC ACID	A,B	1WB8	0.72
PMS	BENZYLSULFINIC ACID	A,B,C	3CE4	0.72
PMS	BENZYLSULFINIC ACID	A,B	1Y9Z	0.72
PMS	BENZYLSULFINIC ACID	A	3H18	0.72
PMS	BENZYLSULFINIC ACID	A	3H17	0.72
PMS	BENZYLSULFINIC ACID	A	2CBG	0.72
PMS	BENZYLSULFINIC ACID	A	1SUP	0.72
PMS	BENZYLSULFINIC ACID	A,B	1V6C	0.72
PMS	BENZYLSULFINIC ACID	A,B	1WPR	0.72
PMS	BENZYLSULFINIC ACID	A,B	1EQ9	0.72
PMS	BENZYLSULFINIC ACID	A,B	1AUR	0.72
PMS	BENZYLSULFINIC ACID	A	1KLT	0.72
PMS	BENZYLSULFINIC ACID	B,C	1CA8	0.72
PMS	BENZYLSULFINIC ACID	A	2GKO	0.72
PMS	BENZYLSULFINIC ACID	B,C,D	1BA8	0.72
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.73
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.73
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL-3-PHENYLPROPYL ESTER	X	1YS1	0.71
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.75
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER	X	1YS2	0.71
FPR	PROPYLBENZENE	C	1RHK	0.8
1LP	TRANYLCYPROMINE	A,B	1OJB	0.72
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.7
3PL	3-PHENYLPROPANAL	E	1Y3G	0.77
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.85
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.85
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.85
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.85
PEL	2-PHENYL-ETHANOL	A	1EYW	0.85
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.85
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.79
SS1	1-PHENYLETHANOL	H	1UM5	0.76
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.71
HCI	HYDROCINNAMIC ACID	A	1TOI	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.71
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.71
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.76
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.76
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.76
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.76
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.76
PXY	PARA-XYLENE	A	187L	0.8
PXY	PARA-XYLENE	A	225L	0.8
MBN	TOLUENE	A,B	3D7O	0.8
MBN	TOLUENE	A,B	1R1X	0.8
MBN	TOLUENE	A,B	1JLX	0.8
MBN	TOLUENE	A,B,C,D	3D17	0.8
MBN	TOLUENE	A,B	2VRL	0.8
MBN	TOLUENE	A,I	2Z3E	0.8
MBN	TOLUENE	A,B	1YZI	0.8
MBN	TOLUENE	A,B	2DN1	0.8
MBN	TOLUENE	A,B	3EN1	0.8
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.76
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.76
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.76
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.76
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.76
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.76
BDB		A,B	1KE3	0.76
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.74
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.74
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.71
NPY	NAPHTHALENE	A,B	1O7G	0.71
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.7