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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00787685

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.74
B76A,B2E9D0.74
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE
C1K3T0.74
SXXSINAPINATEA,B1WB40.77
COUCOUMARINA3CRB0.82
COUCOUMARINA2PMJ0.82
COUCOUMARINA2H900.82
COUCOUMARINA,B,C,D1Z100.82
COUCOUMARINA2PWB0.82
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.73
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.73
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.75
2682-phenoxyethanolA2RBR0.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
HC4A1TS60.77
HC4A3PHY0.77
HC4A3PYP0.77
HC4A1T1C0.77
HC4A1OT60.77
HC4A1TS00.77
HC4A1T1A0.77
HC4A2PYP0.77
HC4A2ZOI0.77
HC4A1OTI0.77
HC4A1XFQ0.77
HC4A2D010.77
HC4A,B,C,D,E,F,
G,H
2O7B0.77
HC4A2ZOH0.77
HC4A1GSW0.77
HC4A2QJ70.77
HC4A1F9I0.77
HC4X1UWP0.77
HC4A2PHY0.77
HC4A1T1B0.77
HC4A1F980.77
HC4A1T190.77
HC4X1UWN0.77
HC4A,B,C,D,E,F,
G,H
2O7F0.77
HC4A1UGU0.77
HC4A1TS80.77
HC4A,B1OTD0.77
HC4A1OTE0.77
HC4A1GSX0.77
HC4A1TS70.77
HC4A2PYR0.77
HC4A1S4S0.77
HC4A1GSV0.77
HC4A2I9V0.77
HC4A2QWS0.77
HC4A1XFN0.77
HC4A1S4R0.77
HC4A1T180.77
HC4A1OTA0.77
HC4A1D7E0.77
HC4A1S1Z0.77
HC4A,B,C1MZU0.77
HC4A,B1ODV0.77
HC4A,B2J3J0.77
HC4A2QJ50.77
HC4A1OTB0.77
HC4A2D020.77
HC4A1OT90.77
HC4A1NWZ0.77
HC4A1S1Y0.77
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.74
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.81
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.79
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.76
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.77
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.77
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.79
NOANAPHTHYLOXYACETIC ACIDI1IVP0.79
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.74
ANN4-METHOXYBENZOIC ACIDA2B960.75
ANN4-METHOXYBENZOIC ACIDA2QUE0.75
ANN4-METHOXYBENZOIC ACIDA1SV30.75
ANN4-METHOXYBENZOIC ACIDA1O2E0.75
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.75
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.71
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.7
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.79
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.75
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.79
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.82
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.7
CIOCILOMILASTA,B1XOM0.72
CIOCILOMILASTA,B1XLX0.72
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.82
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.82
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.79
DCNDICLOSANA,B,C,D2PD40.72
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.75
AI73-(heptyloxy)benzoic acidA,B2O3Z0.79
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.77
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.72
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.72
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.77
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.76
8CM8-HYDROXYCOUMARINA2H8Z0.83
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.79
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.79
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.79
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.79
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.79
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.79
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.79
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.79
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.79
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.79
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.82
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.77
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.78
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.7
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.71
VXXVANILLATEA,B1WB60.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.75
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.75
RWFR-WARFARINA,B2BXD0.77
OHT4-HYDROXYTAMOXIFENA3ERT0.71
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.71
OHT4-HYDROXYTAMOXIFENA,B1VJB0.71
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.71
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.71
OHT4-HYDROXYTAMOXIFENA2GPU0.71
OHT4-HYDROXYTAMOXIFENA2P7Z0.71
OHT4-HYDROXYTAMOXIFENA,B2BJ40.71
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.71
OXNOXTOXYNOL-10A1IKT0.76
OXNOXTOXYNOL-10A,B2Q320.76
OXNOXTOXYNOL-10A,B1UEH0.76
OXNOXTOXYNOL-10A,B2D4Q0.76
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.7
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.85
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.85
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose
A2VGD0.74
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.7
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.7
FDSFLUORESCINH4FAB0.7
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.81
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.8
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
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.76
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.76
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.75
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.75
T333,3'-DEIODO-THYROXINEA,B1THA0.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.71
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.71
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID
A2OFF0.73
SYRSYRINGATEA,B1WB50.7
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.74
2612-ethoxyphenolX2RB10.76
T4AC,D1KGI0.78
T4AA,B1Z7J0.78
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.73
SWFS-WARFARINA,B1OG50.77
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.76
DHCCAFFEIC ACIDA1KOU0.76
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.76
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.71
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.76
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID
A,B1JJE0.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.74
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.78
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.78
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.78
2LP2-ALLYLPHENOLA1OV50.7
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.75
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.85
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,D2OM90.71
MAXMATAIRESINOLA2BGM0.75
3A3A2CGU0.72
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
2BT40.78
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.78
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.79
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,B1JP30.76
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
A2W220.76