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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02300231

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.8
SS11-PHENYLETHANOLH1UM50.77
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.78
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.75
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.75
1744-CHLORO-BENZOIC ACIDX3DLP0.74
1744-CHLORO-BENZOIC ACIDX1T5D0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
34Z3,4-dichlorobenzoateX2QVY0.71
34Z3,4-dichlorobenzoateX2QW00.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
3BZ3-chlorobenzoateX2QVZ0.73
3BZ3-chlorobenzoateX2QVX0.73
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.77
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.77
SS2(1R)-1-PHENYLETHANOLA1ZJY0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
ETY4-ethylphenolA,B,C,D2RA60.72
2MP3,4-DIMETHYLPHENOLA1L5O0.71
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
3CH3-CHLOROPHENOLA1LI30.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.79
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.72
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
43M4-CHLORO-3-METHYLPHENOLA2P7A0.76
MBD3-METHYLCATECHOLA1KNF0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.7
2LP2-ALLYLPHENOLA1OV50.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72