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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00778348

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B76A,B2E9D0.74
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID		A1Q4X0.73
2682-phenoxyethanolA2RBR0.7
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.71
NOANAPHTHYLOXYACETIC ACIDI1IVP0.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.81
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL		C,F1KYW0.72
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.7
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL		A1JNQ0.71
2612-ethoxyphenolX2RB10.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.81
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.72
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE		B166D0.7
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.71
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.76
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.73
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL		A,B2OP30.73
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.82
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.82
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.77
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.82
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.77
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE		A1PE50.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.75
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE		A,B2V600.7
PO1(9BETA,13ALPHA,14BETA,17ALPHA)-
2-METHOXYESTRA-1,3,5(10)-TRIENE-
3,17-DIYL DISULFAMATE		A2GD80.71
OXNOXTOXYNOL-10A1IKT0.76
OXNOXTOXYNOL-10A,B2Q320.76
OXNOXTOXYNOL-10A,B1UEH0.76
OXNOXTOXYNOL-10A,B2D4Q0.76
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.71
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.73
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.72
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.7
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol		A3FNG0.84
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME		A,B1XLZ0.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAV0.73
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID		A1NAX0.73
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.82
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE		A1HQD0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.73
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL		A,B1NNU0.82
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL		A,B2FOI0.81
DCNDICLOSANA,B,C,D2PD40.79
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)		C,I,T1YTZ0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
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
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,C,E1KYZ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1JT20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A6ATJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1GKL0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GWT0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B,C2BJH0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A1GW20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A3CBG0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A2BNJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A,B1UWC0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID		A7ATJ0.73
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.77
TRTFRAGMENT OF TRITON X-100A,E2I0U0.8
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.8
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.7
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.7
MAXMATAIRESINOLA2BGM0.73
CIOCILOMILASTA,B1XOM0.71
CIOCILOMILASTA,B1XLX0.71
258(2-chloroethoxy)benzeneX2RAY0.71
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE		1,41EAH0.82
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE		1,43EPF0.82
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