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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02698077

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
258(2-chloroethoxy)benzeneX2RAY0.74
OXNOXTOXYNOL-10A1IKT0.7
OXNOXTOXYNOL-10A,B2Q320.7
OXNOXTOXYNOL-10A,B1UEH0.7
OXNOXTOXYNOL-10A,B2D4Q0.7
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.7
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.75
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
TCLTRICLOSANA,B,C,D2PD30.71
TCLTRICLOSANA,B1P450.71
TCLTRICLOSANA,B,C,D,E,F2B350.71
TCLTRICLOSANA,B1D8A0.71
TCLTRICLOSANA,B1C140.71
TCLTRICLOSANA,B,C,D2QIO0.71
TCLTRICLOSANA,B1NHG0.71
TCLTRICLOSANA1D7O0.71
TCLTRICLOSANA,B,C,D2O2Y0.71
TCLTRICLOSANA,B1UH50.71
TCLTRICLOSANA,B2O2S0.71
TCLTRICLOSANA,B,C,D1QG60.71
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.71
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.71
DCNDICLOSANA,B,C,D2PD40.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.73
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.74
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.7
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
TRTFRAGMENT OF TRITON X-100A,E2I0U0.74
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.75
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.76
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.74
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.75
C177-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-
CHROMENE-4-CARBALDEHYDE
A,B2V600.7
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,B1JP30.7
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
A2W220.7
COUCOUMARINA3CRB0.71
COUCOUMARINA2PMJ0.71
COUCOUMARINA2H900.71
COUCOUMARINA,B,C,D1Z100.71
COUCOUMARINA2PWB0.71
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.75
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXR0.72
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXS0.72
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B,C,D1O5W0.72
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.71
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.74
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.7
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.71
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.74
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.74
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.74
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.74
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.72
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.76
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,41EAH0.83
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,43EPF0.83
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.73
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.71
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.75