Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00800124

Ligand	Ligand name	Chain	PDB	Tanimoto
CMZ	(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol	A	2OF0	0.75
HTA	N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE	A	1FBL	0.71
LLB	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone	A,B	2R6W	0.72
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.79
LZP	4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}	A	3EAX	0.81
TF3	N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE	A	2BU7	0.72
401	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid	A,B	2ZNQ	0.71
11N	1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine	A,B,C,D	2ZEC	0.73
C41	ALISKIREN	C,O	2V0Z	0.72
L01	3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE	A	1W51	0.72
TAX	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM	A	1FJ5	0.71
BCG	3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID	H	1QYG	0.71
DRR		A,B	3BXR	0.73
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.75
IN3	1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE	A	1AYW	0.71
AGG	TIROFIBAN	A,B	2VDM	0.74
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.73
SFX	(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine	A	3GWW	0.73
C39	N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE	C,O	2V12	0.73
R88	(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE	A,B,C	1H36	0.79
D18	2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN	B	298D	0.74
K55	(2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid	A,B	2ZNP	0.74
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.79
DBO	N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE	A,B,C,D	2EWY	0.7
CS5	N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE	A,B	2QK5	0.7
NHN		A,C	2GVF	0.7
RFX	(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine	A	3GWV	0.73
2TN	2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE	A	2OTF	0.73
2TN	2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE	A	2NUV	0.73
2TN	2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE	A	2OUB	0.73
HQQ	5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE	A,B,C	1G4K	0.7
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.81
D35	2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN	A	1FMS	0.71
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.7
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.7
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.7
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.7
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.71
LY2	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE	A	1YI3	0.77
LY2	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE	A	1E7V	0.77
C61	(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE	C,O	2V10	0.73
D34	2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN	A	1FMQ	0.71
COC	COCAINE	A,C	1I7Z	0.72
COC	COCAINE	H	1Q72	0.72
COC	COCAINE	L	2AJV	0.72
COC	COCAINE	A,B,C,D,E	2PGZ	0.72
OHT	4-HYDROXYTAMOXIFEN	A	3ERT	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B	1S9Q	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B	1VJB	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B,C,P,R	2JF9	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B,C,D,E,F	2GPV	0.71
OHT	4-HYDROXYTAMOXIFEN	A	2GPU	0.71
OHT	4-HYDROXYTAMOXIFEN	A	2P7Z	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B	2BJ4	0.71
OHT	4-HYDROXYTAMOXIFEN	A,B	2FSZ	0.71
HWG	N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE	A,D	1R20	0.72
BHP	(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID	A,B	1J1A	0.72
P12	4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM	B	1UUI	0.72
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.7
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.7
R02	{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE	A,B,C	1H37	0.79
ROL	ROLIPRAM	A,B,C,D	1OYN	0.74
ROL	ROLIPRAM	A,B	1XMY	0.74
ROL	ROLIPRAM	A,B,C,D	1Q9M	0.74
ROL	ROLIPRAM	A,B	1RO6	0.74
ROL	ROLIPRAM	A,B	1XN0	0.74
ROL	ROLIPRAM	A,B	1TBB	0.74
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.71
Y12	4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE	A	2EW5	0.72
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE	A,B	1JEP	0.72
TXF	(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL	A,B,C,D,E	2EWP	0.72
4MP	1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE	A,B	2AL5	0.75
D24	2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YLAMINO-1-AMINOMETHYL]-PHEN-1-YL]FURAN	B	1EEL	0.72
C3D	(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL	A	2OUZ	0.7
LOB	LOBELINE	A,B,C,D,E,F,G,H,I,J	2BYS	0.73
C40	N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE	A	2V13	0.73
BZF	BENZOFURAN	A	182L	0.72
OBE	3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID	H	1RIV	0.74
4SR	(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE	A,B	1XN0	0.74
CPB	2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE	A	1E1Y	0.71
CPB	2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE	A,B	3BLR	0.71
CPB	2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE	A	1C8K	0.71
183	1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE	A,B,C,D,E,F	1U1F	0.72
TMS	N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-PHENYL)-VINYL]-BENZAMIDE	A,B	1X6W	0.7
HA2	6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID)	A	2VJ8	0.71
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A	1W6J	0.81
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A,B,C	1GSZ	0.81
RAL	RALOXIFENE	A,B	2JFA	0.71
RAL	RALOXIFENE	A,B	1ERR	0.71
RAL	RALOXIFENE	A,B	2QXS	0.71
RAL	RALOXIFENE	A	1QKN	0.71
MTJ	N,O-DIMETHYL-L-TYROSINE	A,B	1ATL	0.71
MR0	N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE	A,B,C	2P83	0.7
DEO		A,B	1ROS	0.76
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.7
HC7	(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium	A	3FEG	0.71
14A	N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE	H,I	1T4V	0.73
DRS	(9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid	A,B	3BXS	0.71
D19	2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN	A	289D	0.72
AI1	N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE	D,E,F,G,H,L,M,N,O,P	1FD7	0.73
R19	ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-HEXYL-}-METHYL-AMIN	A,B,C	1O6R	0.71
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A	1NY0	0.74
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A,B	1YMS	0.74
PI4	1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE	A,B	1B6L	0.72
CTX	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE	A,B,C	1YA4	0.73
E20	1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE	A	1EVE	0.81
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.7
BBB	1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE	A,B,C,D,E,F	1U1G	0.72