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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02392831

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.88
DCNDICLOSANA,B,C,D2PD40.74
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.72
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.76
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.76
HC4A1TS60.72
HC4A3PHY0.72
HC4A3PYP0.72
HC4A1T1C0.72
HC4A1OT60.72
HC4A1TS00.72
HC4A1T1A0.72
HC4A2PYP0.72
HC4A2ZOI0.72
HC4A1OTI0.72
HC4A1XFQ0.72
HC4A2D010.72
HC4A,B,C,D,E,F,
G,H
2O7B0.72
HC4A2ZOH0.72
HC4A1GSW0.72
HC4A2QJ70.72
HC4A1F9I0.72
HC4X1UWP0.72
HC4A2PHY0.72
HC4A1T1B0.72
HC4A1F980.72
HC4A1T190.72
HC4X1UWN0.72
HC4A,B,C,D,E,F,
G,H
2O7F0.72
HC4A1UGU0.72
HC4A1TS80.72
HC4A,B1OTD0.72
HC4A1OTE0.72
HC4A1GSX0.72
HC4A1TS70.72
HC4A2PYR0.72
HC4A1S4S0.72
HC4A1GSV0.72
HC4A2I9V0.72
HC4A2QWS0.72
HC4A1XFN0.72
HC4A1S4R0.72
HC4A1T180.72
HC4A1OTA0.72
HC4A1D7E0.72
HC4A1S1Z0.72
HC4A,B,C1MZU0.72
HC4A,B1ODV0.72
HC4A,B2J3J0.72
HC4A2QJ50.72
HC4A1OTB0.72
HC4A2D020.72
HC4A1OT90.72
HC4A1NWZ0.72
HC4A1S1Y0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.88
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.88
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.88
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.88
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.88
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.88
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.88
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.88
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.88
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.88
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.88
VXXVANILLATEA,B1WB60.78
2612-ethoxyphenolX2RB10.7
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.74
SXXSINAPINATEA,B1WB40.84
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.78
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.75
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.78
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.78
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.78
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.72
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.73
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.78
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.76
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.76
AI73-(heptyloxy)benzoic acidA,B2O3Z0.71
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.79
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.73
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.71
EAAETHACRYNIC ACIDA,B3DGQ0.75
EAAETHACRYNIC ACIDA,B11GS0.75
EAAETHACRYNIC ACIDA,B,C,D1GSF0.75
EAAETHACRYNIC ACIDA,B2GSS0.75
EAAETHACRYNIC ACIDA,B3GSS0.75
EAAETHACRYNIC ACIDA,B1GSE0.75
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.79
DHCCAFFEIC ACIDA1KOU0.79
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.73
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.75
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.75
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.76
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.78
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.76
8CM8-HYDROXYCOUMARINA2H8Z0.78
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.78
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.78
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.73
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.78
MAXMATAIRESINOLA2BGM0.74
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.73
TCLTRICLOSANA,B,C,D2PD30.75
TCLTRICLOSANA,B1P450.75
TCLTRICLOSANA,B,C,D,E,F2B350.75
TCLTRICLOSANA,B1D8A0.75
TCLTRICLOSANA,B1C140.75
TCLTRICLOSANA,B,C,D2QIO0.75
TCLTRICLOSANA,B1NHG0.75
TCLTRICLOSANA1D7O0.75
TCLTRICLOSANA,B,C,D2O2Y0.75
TCLTRICLOSANA,B1UH50.75
TCLTRICLOSANA,B2O2S0.75
TCLTRICLOSANA,B,C,D1QG60.75
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.75
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.73
SYRSYRINGATEA,B1WB50.75
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.81
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose
A2VGD0.78