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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02554219

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.76
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.81
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.74
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.73
ETY4-ethylphenolA,B,C,D2RA60.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.81
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.76
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.76
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.76
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.76
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.76
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.71
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.71
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.75
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.75
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.73
DHCCAFFEIC ACIDA1KOU0.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.73
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.72
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose
A2VGD0.71
COUCOUMARINA3CRB0.76
COUCOUMARINA2PMJ0.76
COUCOUMARINA2H900.76
COUCOUMARINA,B,C,D1Z100.76
COUCOUMARINA2PWB0.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.76
8CM8-HYDROXYCOUMARINA2H8Z0.72
HC4A1TS60.79
HC4A3PHY0.79
HC4A3PYP0.79
HC4A1T1C0.79
HC4A1OT60.79
HC4A1TS00.79
HC4A1T1A0.79
HC4A2PYP0.79
HC4A2ZOI0.79
HC4A1OTI0.79
HC4A1XFQ0.79
HC4A2D010.79
HC4A,B,C,D,E,F,
G,H
2O7B0.79
HC4A2ZOH0.79
HC4A1GSW0.79
HC4A2QJ70.79
HC4A1F9I0.79
HC4X1UWP0.79
HC4A2PHY0.79
HC4A1T1B0.79
HC4A1F980.79
HC4A1T190.79
HC4X1UWN0.79
HC4A,B,C,D,E,F,
G,H
2O7F0.79
HC4A1UGU0.79
HC4A1TS80.79
HC4A,B1OTD0.79
HC4A1OTE0.79
HC4A1GSX0.79
HC4A1TS70.79
HC4A2PYR0.79
HC4A1S4S0.79
HC4A1GSV0.79
HC4A2I9V0.79
HC4A2QWS0.79
HC4A1XFN0.79
HC4A1S4R0.79
HC4A1T180.79
HC4A1OTA0.79
HC4A1D7E0.79
HC4A1S1Z0.79
HC4A,B,C1MZU0.79
HC4A,B1ODV0.79
HC4A,B2J3J0.79
HC4A2QJ50.79
HC4A1OTB0.79
HC4A2D020.79
HC4A1OT90.79
HC4A1NWZ0.79
HC4A1S1Y0.79
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.73
FL86,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONEB,C1KGJ0.7
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.7
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.7
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.73
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.77
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
AI73-(heptyloxy)benzoic acidA,B2O3Z0.75
VXXVANILLATEA,B1WB60.71
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.73
SXXSINAPINATEA,B1WB40.76
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.7
ANN4-METHOXYBENZOIC ACIDA2B960.79
ANN4-METHOXYBENZOIC ACIDA2QUE0.79
ANN4-METHOXYBENZOIC ACIDA1SV30.79
ANN4-METHOXYBENZOIC ACIDA1O2E0.79
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.79
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.74
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.7
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.74
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.76
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
G123,8-DIBROMO-7-HYDROXY-4-METHYL-
2H-CHROMEN-2-ONE
A2QC60.8
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.82
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.73