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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02695917

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,41EAH0.78
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,43EPF0.78
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.8
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.72
DCNDICLOSANA,B,C,D2PD40.74
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.81
NOANAPHTHYLOXYACETIC ACIDI1IVP0.81
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.72
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.79
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.75
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
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.75
3A3A2CGU0.71
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.75
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.7
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.75
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.75
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.83
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.79
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.77
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.72
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.72
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.72
EAAETHACRYNIC ACIDA,B3DGQ0.73
EAAETHACRYNIC ACIDA,B11GS0.73
EAAETHACRYNIC ACIDA,B,C,D1GSF0.73
EAAETHACRYNIC ACIDA,B2GSS0.73
EAAETHACRYNIC ACIDA,B3GSS0.73
EAAETHACRYNIC ACIDA,B1GSE0.73
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.73
8CM8-HYDROXYCOUMARINA2H8Z0.72
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.72
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.72
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.72
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.89
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
TCLTRICLOSANA,B,C,D2PD30.7
TCLTRICLOSANA,B1P450.7
TCLTRICLOSANA,B,C,D,E,F2B350.7
TCLTRICLOSANA,B1D8A0.7
TCLTRICLOSANA,B1C140.7
TCLTRICLOSANA,B,C,D2QIO0.7
TCLTRICLOSANA,B1NHG0.7
TCLTRICLOSANA1D7O0.7
TCLTRICLOSANA,B,C,D2O2Y0.7
TCLTRICLOSANA,B1UH50.7
TCLTRICLOSANA,B2O2S0.7
TCLTRICLOSANA,B,C,D1QG60.7
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.7
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.75
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.75
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.7
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
COUCOUMARINA3CRB0.77
COUCOUMARINA2PMJ0.77
COUCOUMARINA2H900.77
COUCOUMARINA,B,C,D1Z100.77
COUCOUMARINA2PWB0.77
C187-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-
2H-CHROMEN-2-ONE
A,B2V610.72
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.78
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.78
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.8
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.74
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.8
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.74