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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02550159

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.74
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.74
SS11-PHENYLETHANOLH1UM50.77
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.7
341(3,5-difluorophenyl)methanolC3EON0.73
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.74
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.79
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.73
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.81
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.79
SS2(1R)-1-PHENYLETHANOLA1ZK00.77
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.77
SS2(1R)-1-PHENYLETHANOLA1ZJY0.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.7
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
34Z3,4-dichlorobenzoateX2QVY0.72
34Z3,4-dichlorobenzoateX2QW00.72
PEL2-PHENYL-ETHANOLA,B1I0D0.7
PEL2-PHENYL-ETHANOLD,H2I0T0.7
PEL2-PHENYL-ETHANOLA,B1HZY0.7
PEL2-PHENYL-ETHANOLA,B1I0B0.7
PEL2-PHENYL-ETHANOLA1EYW0.7
PEL2-PHENYL-ETHANOLA,B1JGM0.7