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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02283208

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.75
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.8
TF3N-(2-AMINOETHYL)-2-{3-CHLORO-4-
[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE
A2BU70.7
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.72
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.76
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.76
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.7
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.78
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.73
OXNOXTOXYNOL-10A1IKT0.76
OXNOXTOXYNOL-10A,B2Q320.76
OXNOXTOXYNOL-10A,B1UEH0.76
OXNOXTOXYNOL-10A,B2D4Q0.76
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.72
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.75
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.7
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.75
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.75
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.71
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.76
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXR0.73
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXS0.73
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B,C,D1O5W0.73
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.75
TRTFRAGMENT OF TRITON X-100A,E2I0U0.8
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.8
258(2-chloroethoxy)benzeneX2RAY0.76
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