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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00255099

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXNOXTOXYNOL-10A1IKT0.7
OXNOXTOXYNOL-10A,B2Q320.7
OXNOXTOXYNOL-10A,B1UEH0.7
OXNOXTOXYNOL-10A,B2D4Q0.7
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.71
2682-phenoxyethanolA2RBR0.86
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.73
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.75
FOA2-FUROIC ACIDA,B2GF30.75
FOA2-FUROIC ACIDA,B,D2GAG0.75
FOA2-FUROIC ACIDA,B,C,D2GAH0.75
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.72
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
FP22-fluorophenolA3CPO0.7
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.77
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.75
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.7
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.71
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,B1JP30.7
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
A2W220.7
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.74
8CM8-HYDROXYCOUMARINA2H8Z0.72
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.72
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.72
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.7
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.78
NOANAPHTHYLOXYACETIC ACIDI1IVP0.78
FPN4-FLUOROPHENOLA,B1XVD0.7
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.72
COUCOUMARINA3CRB0.73
COUCOUMARINA2PMJ0.73
COUCOUMARINA2H900.73
COUCOUMARINA,B,C,D1Z100.73
COUCOUMARINA2PWB0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.74
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.74
2612-ethoxyphenolX2RB10.81
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.84
3A3A2CGU0.7
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.73
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.78
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.78
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.75
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.83
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.77
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2BT40.7
258(2-chloroethoxy)benzeneX2RAY0.76