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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019198

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,D3FNF0.85
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.78
2682-phenoxyethanolA2RBR0.72
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.71
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.7
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.77
2CH2-CHLOROPHENOLA1WBO0.74
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
TN52-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOLA,B1ZW10.8
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,41EAH0.74
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,43EPF0.74
3CH3-CHLOROPHENOLA1LI30.72
2612-ethoxyphenolX2RB10.79
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
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.83
TC72,4,5-trichlorophenolA2VCE0.72
TCLTRICLOSANA,B,C,D2PD31
TCLTRICLOSANA,B1P451
TCLTRICLOSANA,B,C,D,E,F2B351
TCLTRICLOSANA,B1D8A1
TCLTRICLOSANA,B1C141
TCLTRICLOSANA,B,C,D2QIO1
TCLTRICLOSANA,B1NHG1
TCLTRICLOSANA1D7O1
TCLTRICLOSANA,B,C,D2O2Y1
TCLTRICLOSANA,B1UH51
TCLTRICLOSANA,B2O2S1
TCLTRICLOSANA,B,C,D1QG61
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG1
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.81
DCNDICLOSANA,B,C,D2PD40.94
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.84
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.84
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.73
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.84
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.86
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.73
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.82