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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02792305

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.83
SS2(1R)-1-PHENYLETHANOLA1ZK00.79
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.79
SS2(1R)-1-PHENYLETHANOLA1ZJY0.79
43M4-CHLORO-3-METHYLPHENOLA2P7A0.73
341(3,5-difluorophenyl)methanolC3EON0.74
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.77
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.73
BPYBIPHENYL-2,3-DIOLA1KMY0.7
BPYBIPHENYL-2,3-DIOLB1KW80.7
BPYBIPHENYL-2,3-DIOLA2EI30.7
BPYBIPHENYL-2,3-DIOLA1EIR0.7
BPYBIPHENYL-2,3-DIOLB1KW60.7
BPYBIPHENYL-2,3-DIOLB1KWC0.7
BPYBIPHENYL-2,3-DIOLB1KW90.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.76
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.76
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
2LP2-ALLYLPHENOLA1OV50.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.78
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.78
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.78
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.78
PEL2-PHENYL-ETHANOLA,B1I0D0.76
PEL2-PHENYL-ETHANOLD,H2I0T0.76
PEL2-PHENYL-ETHANOLA,B1HZY0.76
PEL2-PHENYL-ETHANOLA,B1I0B0.76
PEL2-PHENYL-ETHANOLA1EYW0.76
PEL2-PHENYL-ETHANOLA,B1JGM0.76
3BZ3-chlorobenzoateX2QVZ0.73
3BZ3-chlorobenzoateX2QVX0.73
RSOR-STYRENE OXIDEA,B1PWZ0.7
1NP1-NAPHTHOLX2ZVQ0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
SS11-PHENYLETHANOLH1UM50.79
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.75
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.84
OBZO-benzylhydroxylamineA,B3DTH0.72
OBZO-benzylhydroxylamineA,B3DTG0.72
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.71
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.77
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.74
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.71
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.71
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.82
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7