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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02759928

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OHT4-HYDROXYTAMOXIFENA3ERT0.7
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.7
OHT4-HYDROXYTAMOXIFENA,B1VJB0.7
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.7
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.7
OHT4-HYDROXYTAMOXIFENA2GPU0.7
OHT4-HYDROXYTAMOXIFENA2P7Z0.7
OHT4-HYDROXYTAMOXIFENA,B2BJ40.7
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.7
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.76
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.72
OXNOXTOXYNOL-10A1IKT0.78
OXNOXTOXYNOL-10A,B2Q320.78
OXNOXTOXYNOL-10A,B1UEH0.78
OXNOXTOXYNOL-10A,B2D4Q0.78
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.75
BZFBENZOFURANA182L0.71
HQQ5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-
2,4,6-TRIONE
A,B,C1G4K0.73
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.78
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.78
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.75
SWFS-WARFARINA,B1OG50.81
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.8
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.8
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.73
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.72
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.78
ANN4-METHOXYBENZOIC ACIDA2B960.74
ANN4-METHOXYBENZOIC ACIDA2QUE0.74
ANN4-METHOXYBENZOIC ACIDA1SV30.74
ANN4-METHOXYBENZOIC ACIDA1O2E0.74
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.74
EQIEQUILINA,B1EQU0.74
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID
A,B1JJT0.75
T333,3'-DEIODO-THYROXINEA,B1THA0.71
IKRmethyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoateA,C,D,E,N,P,
Q,R
3H1K0.78
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.82
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.82
B76A,B2E9D0.73
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE
C1K3T0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.71
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.83
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.76
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.82
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.79
1676-CARBAMIMIDOYL-2-[2-HYDROXY-5-
(3-METHOXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ60.71
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.78
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.77
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.79
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.79
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.71
EQUEQUILENINA,B1OGX0.72
EQUEQUILENINA,B,C,D,E,F1QJG0.72
EQUEQUILENINA,B1OH00.72
EQUEQUILENINA1W6Y0.72
EQUEQUILENINA,B1CQS0.72
EQUEQUILENINA1OGZ0.72
EQUEQUILENINA1GS30.72
EQUEQUILENINA1OHO0.72
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
COUCOUMARINA3CRB0.79
COUCOUMARINA2PMJ0.79
COUCOUMARINA2H900.79
COUCOUMARINA,B,C,D1Z100.79
COUCOUMARINA2PWB0.79
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.78
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.75
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.75
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.75
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.72
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.71
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.77
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.78
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.74
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.79
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER
A1J5I0.7
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.74
AJA(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-
1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-
TETRAHYDRO-6H-BENZO[C]CHROMENE-
9-CARBOXYLIC ACID
A,B,C,D2OM90.78
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.73
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.74
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.7
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID
A,B1JJE0.77
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.75
MAXMATAIRESINOLA2BGM0.8
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.7
AI73-(heptyloxy)benzoic acidA,B2O3Z0.81
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.7
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A,C,E,G1MZN0.7
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.72
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.77
EGC2-(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,B1JP30.78
EGC2-(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
A2W220.78
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.74
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.78
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.81
CIOCILOMILASTA,B1XOM0.82
CIOCILOMILASTA,B1XLX0.82
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.74
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.74
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.75
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.75
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.71
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.71
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.7
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.71
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.79
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.77
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.72
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.74
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.74
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.77
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.71
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.7
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.71
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE
A,B2QH60.73
T4AC,D1KGI0.78
T4AA,B1Z7J0.78
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.77
NOANAPHTHYLOXYACETIC ACIDI1IVP0.77
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.77
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.8
3MB3-METHOXYBENZAMIDEA3PAX0.7
FDSFLUORESCINH4FAB0.73
ESOO3-PHOSPHONOESTRONEB,C1ESS0.73
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.71
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.82
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.82
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2BT40.77
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.76
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.73
RWFR-WARFARINA,B2BXD0.81
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.77
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.77
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.74
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.73
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.78
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.78
8CM8-HYDROXYCOUMARINA2H8Z0.73
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.76
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.71
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.71
3A3A2CGU0.72
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.81