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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01533217

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.78
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.75
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME		A,B1XLZ0.72
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.71
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.73
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.77
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.75
FLTFLUOROMALONYL TYROSINEI1BZH0.71
2612-ethoxyphenolX2RB10.7
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.75
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
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,B1JP30.73
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		A2W220.73
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.71
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.71
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.82
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide		A2JT60.74
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN		C,D1CJF0.7
SXXSINAPINATEA,B1WB40.7
CIOCILOMILASTA,B1XOM0.77
CIOCILOMILASTA,B1XLX0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.7
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
OXNOXTOXYNOL-10A1IKT0.73
OXNOXTOXYNOL-10A,B2Q320.73
OXNOXTOXYNOL-10A,B1UEH0.73
OXNOXTOXYNOL-10A,B2D4Q0.73
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.72
2682-phenoxyethanolA2RBR0.73
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE		A1PE50.72
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.71
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.79
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.79
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE		A1HQD0.72
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.77
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.75
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine		A2VIN0.71
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.72
3A3A2CGU0.73
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.7
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.72
TRTFRAGMENT OF TRITON X-100A,E2I0U0.76
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.76
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.77
NOANAPHTHYLOXYACETIC ACIDI1IVP0.77
COUCOUMARINA3CRB0.75
COUCOUMARINA2PMJ0.75
COUCOUMARINA2H900.75
COUCOUMARINA,B,C,D1Z100.75
COUCOUMARINA2PWB0.75
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.72
AI73-(heptyloxy)benzoic acidA,B2O3Z0.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,C,E1KYZ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1JT20.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A6ATJ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1GKL0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GWT0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B,C2BJH0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GW20.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A3CBG0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A2BNJ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1UWC0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A7ATJ0.74
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.72
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.74
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.7
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.77
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.77
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.72