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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02323034

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.77
43M4-CHLORO-3-METHYLPHENOLA2P7A0.75
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.78
341(3,5-difluorophenyl)methanolC3EON0.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.77
MNN(S)-MANDELIC ACID NITRILEA1YB60.76
SMN(S)-MANDELIC ACIDA1MDL0.7
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.77
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.77
RSOR-STYRENE OXIDEA,B1PWZ0.72
2LP2-ALLYLPHENOLA1OV50.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.78
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.76
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
OBZO-benzylhydroxylamineA,B3DTH0.7
OBZO-benzylhydroxylamineA,B3DTG0.7
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.78
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.74
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
PEL2-PHENYL-ETHANOLA,B1I0D0.75
PEL2-PHENYL-ETHANOLD,H2I0T0.75
PEL2-PHENYL-ETHANOLA,B1HZY0.75
PEL2-PHENYL-ETHANOLA,B1I0B0.75
PEL2-PHENYL-ETHANOLA1EYW0.75
PEL2-PHENYL-ETHANOLA,B1JGM0.75
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.72
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.74
SS11-PHENYLETHANOLH1UM50.82
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.86
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
RMN(R)-MANDELIC ACIDA1MDL0.7
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.7