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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02548615

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
43M4-CHLORO-3-METHYLPHENOLA2P7A0.74
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.77
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.75
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.82
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
341(3,5-difluorophenyl)methanolC3EON0.75
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.7
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.7
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.76
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.76
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.8
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.8
SS2(1R)-1-PHENYLETHANOLA1ZJY0.8
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.75
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.73
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.75
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.76
PEL2-PHENYL-ETHANOLA,B1I0D0.72
PEL2-PHENYL-ETHANOLD,H2I0T0.72
PEL2-PHENYL-ETHANOLA,B1HZY0.72
PEL2-PHENYL-ETHANOLA,B1I0B0.72
PEL2-PHENYL-ETHANOLA1EYW0.72
PEL2-PHENYL-ETHANOLA,B1JGM0.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.7
SS11-PHENYLETHANOLH1UM50.8
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.74
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.76
MNN(S)-MANDELIC ACID NITRILEA1YB60.73