Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01777669

Ligand	Ligand name	Chain	PDB	Tanimoto
DBO	N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE	A,B,C,D	2EWY	0.73
HV8	BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE	C	1A8G	0.75
GNT	(-)-GALANTHAMINE	A	1DX6	0.72
GNT	(-)-GALANTHAMINE	A	1QTI	0.72
GNT	(-)-GALANTHAMINE	A,B,C,D,E	2PH9	0.72
GNT	(-)-GALANTHAMINE	A,B	1W76	0.72
GNT	(-)-GALANTHAMINE	A	1W6R	0.72
HA2	6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID)	A	2VJ8	0.75
D18	2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN	B	298D	0.77
5RM	(5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one	A,B	1XM6	0.72
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A	1NY0	0.76
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A,B	1YMS	0.76
P12	4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM	B	1UUI	0.79
CMZ	(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol	A	2OF0	0.73
PZM	1-(4-METHOXYPHENYL)METHANAMINE	A,D,H	2HJB	0.8
CM4	(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL	A	1YIM	0.74
ZHH	2-(4-METHOXYPHENYL)ETHANAMINE	D,H	2HKR	0.8
0EZ	tert-butyl [(1S,2S)-1-benzyl-2-hydroxy-3-{[(8S,11R)-8-[(1R)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate	A,B	1MTR	0.72
SAG	(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]	A,B	2V5Z	0.72
TL3	2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL	T	1Y5B	0.7
505	(2R)-1-(2,6-dimethylphenoxy)propan-2-amine	A	2VIN	0.77
C41	ALISKIREN	C,O	2V0Z	0.72
2NI	N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA	A	1ZP5	0.75
CMQ	N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE	A,B,C,D,E,F,G,H,I,J,K,L,M,N	2FZS	0.7
PNT	1,5-BIS(4-AMIDINOPHENOXY)PENTANE	X	3CR4	0.76
PNT	1,5-BIS(4-AMIDINOPHENOXY)PENTANE	B	1D64	0.76
PNT	1,5-BIS(4-AMIDINOPHENOXY)PENTANE	X	3CR5	0.76
PNT	1,5-BIS(4-AMIDINOPHENOXY)PENTANE	A,B,D,E	1RKW	0.76
DCH	3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER	H	1UVU	0.79
ANM	ANISOMYCIN	1,2,4,A,B,C,D,E,J,K,L,M,N,O,P,R,S,T,U,V,Z	1K73	0.76
ANM	ANISOMYCIN	0,1,3,9,A,B,C,F,H,J,K,L,M,N,O,Q,R,S,T,U,Y,Z	3CC4	0.76
RHP	(3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL	A,B	1S3E	0.72
DID	4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE	A,B,C,D	1RPW	0.77
BHP	(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID	A,B	1J1A	0.76
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.73
OHT	4-HYDROXYTAMOXIFEN	A	3ERT	0.77
OHT	4-HYDROXYTAMOXIFEN	A,B	1S9Q	0.77
OHT	4-HYDROXYTAMOXIFEN	A,B	1VJB	0.77
OHT	4-HYDROXYTAMOXIFEN	A,B,C,P,R	2JF9	0.77
OHT	4-HYDROXYTAMOXIFEN	A,B,C,D,E,F	2GPV	0.77
OHT	4-HYDROXYTAMOXIFEN	A	2GPU	0.77
OHT	4-HYDROXYTAMOXIFEN	A	2P7Z	0.77
OHT	4-HYDROXYTAMOXIFEN	A,B	2BJ4	0.77
OHT	4-HYDROXYTAMOXIFEN	A,B	2FSZ	0.77
2TN	2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE	A	2OTF	0.75
2TN	2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE	A	2NUV	0.75
2TN	2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE	A	2OUB	0.75
HBB	N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE	A,B	1Z1H	0.71
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
BX3	(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID	A	1MTV	0.71
BX3	(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID	A	1MTU	0.71
BX3	(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID	A	1MTS	0.71
PI8	N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE	A,B	1D4K	0.74
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.74
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.74
SLX	(13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol	A	3FW9	0.71
E20	1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE	A	1EVE	0.72
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	0.72
HQQ	5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE	A,B,C	1G4K	0.7
TOL	TOLRESTAT	A	2PDL	0.72
TOL	TOLRESTAT	A	2FZD	0.72
TOL	TOLRESTAT	A	2FZB	0.72
TOL	TOLRESTAT	A	1AH3	0.72
TOL	TOLRESTAT	X	1ZUA	0.72
TOL	TOLRESTAT	A	1AE4	0.72
AGG	TIROFIBAN	A,B	2VDM	0.73
4BS	4-amino-N-[4-(benzyloxy)phenyl]butanamide	A	3CHR	0.77
AEH	4-(2-aminoethyl)-2-ethylphenol	A	3BUG	0.7
11N	1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine	A,B,C,D	2ZEC	0.78
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE	A,B	2AOT	0.72
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
CTX	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE	A,B,C	1YA4	0.8
MR1	1-(1,3-BENZODIOXOL-5-YL)METHANAMINE	A	2ORQ	0.7
JT6	3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide	A	2JT6	0.72
MTJ	N,O-DIMETHYL-L-TYROSINE	A,B	1ATL	0.72
F1I	N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide	A	2ZJI	0.71
PI7	N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE	A,B	1B6P	0.74
REN	(S)-reticuline	A	3FWA	0.73
REN	(S)-reticuline	A	3D2D	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	0.71
K55	(2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid	A,B	2ZNP	0.75
SNP	1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL	A	1DY4	0.79
OXN	OXTOXYNOL-10	A	1IKT	0.71
OXN	OXTOXYNOL-10	A,B	2Q32	0.71
OXN	OXTOXYNOL-10	A,B	1UEH	0.71
OXN	OXTOXYNOL-10	A,B	2D4Q	0.71
SFX	(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine	A	3GWW	0.88
H24	(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one	A	2VA6	0.7
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.7
L01	3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE	A	1W51	0.71
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	0.7
LDT	IDD594	A	1US0	0.71
LDT	IDD594	A	3GHU	0.71
LDT	IDD594	A	3GHT	0.71
LDT	IDD594	A	2I17	0.71
LDT	IDD594	A	2QXW	0.71
LDT	IDD594	A	3GHS	0.71
LDT	IDD594	A	3GHR	0.71
LDT	IDD594	A	2PEV	0.71
LDT	IDD594	A	2I16	0.71
LDT	IDD594	A	2PF8	0.71
LDT	IDD594	A	2PFH	0.71
LDT	IDD594	A	2R24	0.71
4BG	N-[4-(benzyloxy)phenyl]glycinamide	A	3CHO	0.76
RFX	(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine	A	3GWV	0.88
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.71
997	1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE	A	1TFT	0.73
D19	2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN	A	289D	0.75
401	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid	A,B	2ZNQ	0.72
DR6	ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)	C,I,T	1YTZ	0.7
TF3	N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE	A	2BU7	0.76
EIN		A	1ZS0	0.72
PET	1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE	B	166D	0.76
TXF	(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL	A,B,C,D,E	2EWP	0.77
Y12	4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE	A	2EW5	0.78
189	N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE	A,B	1XL2	0.72
D35	2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN	A	1FMS	0.75
TNT	1,3-BIS(AMIDINOPHENOXY)PROPANE	B	102D	0.76
TNT	1,3-BIS(AMIDINOPHENOXY)PROPANE	A	1PRP	0.76
D34	2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN	A	1FMQ	0.75
GVB	(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE	A,B	2JID	0.72
DPD		A,B	1QIW	0.85
DPD		A	1QIV	0.85
R23	METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-(4-CHLOROPHENYL)-ESTER	A,B,C	1O79	0.71
HTA	N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE	A	1FBL	0.72
FIN		A	1ZVX	0.72
RNP	(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL	X	1H46	0.71
TMS	N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-PHENYL)-VINYL]-BENZAMIDE	A,B	1X6W	0.7
XX6	2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL	A	2V3I	0.76
PI6	[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL] -CARBAMIC ACID TERT-BUTYL ESTER	A,B	1B6M	0.72
TAX	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM	A	1FJ5	0.84
PI5	N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE	A,B	1B6K	0.72
T1D	5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE	A	2BGD	0.71
C18	7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE	A,B	2V61	0.72
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	0.7
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A	1W6J	0.71
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A,B,C	1GSZ	0.71
XX7	2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL	A	2V3R	0.76
NHN		A,C	2GVF	0.71
D24	2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YLAMINO-1-AMINOMETHYL]-PHEN-1-YL]FURAN	B	1EEL	0.75
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQR	0.7
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQS	0.7
ROL	ROLIPRAM	A,B,C,D	1OYN	0.77
ROL	ROLIPRAM	A,B	1XMY	0.77
ROL	ROLIPRAM	A,B,C,D	1Q9M	0.77
ROL	ROLIPRAM	A,B	1RO6	0.77
ROL	ROLIPRAM	A,B	1XN0	0.77
ROL	ROLIPRAM	A,B	1TBB	0.77
BS2	(3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE	A,D,E	2W8G	0.74
HV7	1-METHYLAMINE-2-HYDROXY-4-METHOXY-BENZENE	C	1A8G	0.72
C4M	N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE	B,I	2C93	0.71
C3D	(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL	A	2OUZ	0.75
CM3	(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL	A	1YIN	0.72
DRR		A,B	3BXR	0.76
S44	(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid	A	2ZNN	0.72
S44	(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid	A,B	2ZNO	0.72
442	2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL	A	1R6G	0.74
P14	N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE	B	1UUD	0.79
AED	4-(2-aminoethyl)-2-cyclohexylphenol	A	3BUH	0.73
YR3	(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol	A	2ZFX	0.73
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	0.71
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	0.71
4SR	(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE	A,B	1XN0	0.77