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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02274484

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.84
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.84
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.84
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.84
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.84
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.84
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.84
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.84
2612-ethoxyphenolX2RB10.72
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.76
ANN4-METHOXYBENZOIC ACIDA2B960.74
ANN4-METHOXYBENZOIC ACIDA2QUE0.74
ANN4-METHOXYBENZOIC ACIDA1SV30.74
ANN4-METHOXYBENZOIC ACIDA1O2E0.74
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.74
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
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.7
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.71
CTF(17beta)-17-(cyanomethyl)-2-methoxyestra-
1(10),2,4-trien-3-yl sulfamate
A3BET0.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.7
CIOCILOMILASTA,B1XOM0.73
CIOCILOMILASTA,B1XLX0.73
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.74
ZAR6-(4-DIFLUOROMETHOXY-3-METHOXY-
PHENYL)-2H-PYRIDAZIN-3-ONE
A,B1XOR0.71
ZAR6-(4-DIFLUOROMETHOXY-3-METHOXY-
PHENYL)-2H-PYRIDAZIN-3-ONE
A,B,C,D,E,F,
G,H,I,J,K,L
1MKD0.71
8CM8-HYDROXYCOUMARINA2H8Z0.76
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.8
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.8
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.72
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.76
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.76
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.75
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.74
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose
A2VGD0.76
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.75
DHCCAFFEIC ACIDA1KOU0.75
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.75
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.7
OXNOXTOXYNOL-10A1IKT0.76
OXNOXTOXYNOL-10A,B2Q320.76
OXNOXTOXYNOL-10A,B1UEH0.76
OXNOXTOXYNOL-10A,B2D4Q0.76
2682-phenoxyethanolA2RBR0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.86
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.82
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.73
SXXSINAPINATEA,B1WB40.81
AI73-(heptyloxy)benzoic acidA,B2O3Z0.75
VXXVANILLATEA,B1WB60.76
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.77
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME
A,B1XLZ0.71
COUCOUMARINA3CRB0.75
COUCOUMARINA2PMJ0.75
COUCOUMARINA2H900.75
COUCOUMARINA,B,C,D1Z100.75
COUCOUMARINA2PWB0.75
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.7
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.77
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.86
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.86
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.86
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.86
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.86
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.86
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.86
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.86
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.86
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.86
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.86
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.77
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
3MB3-METHOXYBENZAMIDEA3PAX0.74
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID
A,B1JJE0.71
PO1(9BETA,13ALPHA,14BETA,17ALPHA)-
2-METHOXYESTRA-1,3,5(10)-TRIENE-
3,17-DIYL DISULFAMATE
A2GD80.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.79
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.76
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.76
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.8
MBD3-METHYLCATECHOLA1KNF0.71
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.73
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.8
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.8
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.73
MAXMATAIRESINOLA2BGM0.73
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.75
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.72
SYRSYRINGATEA,B1WB50.73
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.73
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
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
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.71