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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02183194

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
341(3,5-difluorophenyl)methanolC3EON0.74
RSOR-STYRENE OXIDEA,B1PWZ0.74
43M4-CHLORO-3-METHYLPHENOLA2P7A0.75
ETY4-ethylphenolA,B,C,D2RA60.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.73
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.75
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.76
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.73
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.88
12M(2-ETHYLPHENYL)METHANOLA,B2F620.79
SS2(1R)-1-PHENYLETHANOLA1ZK00.83
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.83
SS2(1R)-1-PHENYLETHANOLA1ZJY0.83
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.75
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.73
1744-CHLORO-BENZOIC ACIDX1T5D0.73
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
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.71
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.8
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.75
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.78
OBZO-benzylhydroxylamineA,B3DTH0.72
OBZO-benzylhydroxylamineA,B3DTG0.72
SMN(S)-MANDELIC ACIDA1MDL0.71
3CH3-CHLOROPHENOLA1LI30.7
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
SS11-PHENYLETHANOLH1UM50.83
2LP2-ALLYLPHENOLA1OV50.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.78
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.7