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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00025381

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
A3CBG0.87
G123,8-DIBROMO-7-HYDROXY-4-METHYL-
2H-CHROMEN-2-ONE
A2QC60.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.87
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.87
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.87
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.87
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.87
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.87
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.87
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.87
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.87
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.87
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.87
ANN4-METHOXYBENZOIC ACIDA2B960.73
ANN4-METHOXYBENZOIC ACIDA2QUE0.73
ANN4-METHOXYBENZOIC ACIDA1SV30.73
ANN4-METHOXYBENZOIC ACIDA1O2E0.73
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.71
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.77
8CM8-HYDROXYCOUMARINA2H8Z0.76
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.71
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.74
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose
A2VGD0.76
HC4A1TS60.73
HC4A3PHY0.73
HC4A3PYP0.73
HC4A1T1C0.73
HC4A1OT60.73
HC4A1TS00.73
HC4A1T1A0.73
HC4A2PYP0.73
HC4A2ZOI0.73
HC4A1OTI0.73
HC4A1XFQ0.73
HC4A2D010.73
HC4A,B,C,D,E,F,
G,H
2O7B0.73
HC4A2ZOH0.73
HC4A1GSW0.73
HC4A2QJ70.73
HC4A1F9I0.73
HC4X1UWP0.73
HC4A2PHY0.73
HC4A1T1B0.73
HC4A1F980.73
HC4A1T190.73
HC4X1UWN0.73
HC4A,B,C,D,E,F,
G,H
2O7F0.73
HC4A1UGU0.73
HC4A1TS80.73
HC4A,B1OTD0.73
HC4A1OTE0.73
HC4A1GSX0.73
HC4A1TS70.73
HC4A2PYR0.73
HC4A1S4S0.73
HC4A1GSV0.73
HC4A2I9V0.73
HC4A2QWS0.73
HC4A1XFN0.73
HC4A1S4R0.73
HC4A1T180.73
HC4A1OTA0.73
HC4A1D7E0.73
HC4A1S1Z0.73
HC4A,B,C1MZU0.73
HC4A,B1ODV0.73
HC4A,B2J3J0.73
HC4A2QJ50.73
HC4A1OTB0.73
HC4A2D020.73
HC4A1OT90.73
HC4A1NWZ0.73
HC4A1S1Y0.73
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.72
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.7
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.73
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.72
MAXMATAIRESINOLA2BGM0.72
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.71
VXXVANILLATEA,B1WB60.76
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.75
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.75
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.8
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.76
DHCCAFFEIC ACIDA1KOU0.76
AI73-(heptyloxy)benzoic acidA,B2O3Z0.73
SXXSINAPINATEA,B1WB40.82
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.76
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.76
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.79
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.79
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.74
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.74
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.7
SYRSYRINGATEA,B1WB50.73
COUCOUMARINA3CRB0.7
COUCOUMARINA2PMJ0.7
COUCOUMARINA2H900.7
COUCOUMARINA,B,C,D1Z100.7
COUCOUMARINA2PWB0.7