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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03656459

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.8
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.81
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.77
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.7
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,D1Y0G0.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.77
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
1NP1-NAPHTHOLX2ZVQ0.71
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.74
3CAA,B2B770.74
2LP2-ALLYLPHENOLA1OV50.73
ANFANTHRONEH2BJM0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.75
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.81
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.76
DESDIETHYLSTILBESTROLA,B3ERD0.76
DESDIETHYLSTILBESTROLA,B1TT60.76
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.76
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.8
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.7
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.79
ETY4-ethylphenolA,B,C,D2RA60.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.8
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71