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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01225468

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.83
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.78
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.76
NOANAPHTHYLOXYACETIC ACIDI1IVP0.76
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.76
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.76
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.76
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.76
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.75
G123,8-DIBROMO-7-HYDROXY-4-METHYL-
2H-CHROMEN-2-ONE
A2QC60.75
TRTFRAGMENT OF TRITON X-100A,E2I0U0.75
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.75
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.75
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.74
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.74
COUCOUMARINA3CRB0.74
COUCOUMARINA2PMJ0.74
COUCOUMARINA2H900.74
COUCOUMARINA,B,C,D1Z100.74
COUCOUMARINA2PWB0.74
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.74
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.73
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.73
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.73
2682-phenoxyethanolA2RBR0.72
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.72
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.71
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.71
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.71
AI73-(heptyloxy)benzoic acidA,B2O3Z0.71
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.71
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.71
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.71
LDTIDD594A1US00.7
LDTIDD594A3GHU0.7
LDTIDD594A3GHT0.7
LDTIDD594A2I170.7
LDTIDD594A2QXW0.7
LDTIDD594A3GHS0.7
LDTIDD594A3GHR0.7
LDTIDD594A2PEV0.7
LDTIDD594A2I160.7
LDTIDD594A2PF80.7
LDTIDD594A2PFH0.7
LDTIDD594A2R240.7
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.7
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.7