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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03463827

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
AIH(2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-
1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XP10.71
RWFR-WARFARINA,B2BXD0.73
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.71
AIU(2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-
1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XP60.71
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.74
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.77
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.77
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.74
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.71
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.74
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.71
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.77
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.74
OXNOXTOXYNOL-10A1IKT0.72
OXNOXTOXYNOL-10A,B2Q320.72
OXNOXTOXYNOL-10A,B1UEH0.72
OXNOXTOXYNOL-10A,B2D4Q0.72
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,B1JP30.72
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
A2W220.72
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE
C1K3T0.72
5094-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-
2-CARBOXYLIC ACID
A2H4K0.72
6944-BROMO-3-(CARBOXYMETHOXY)-5-(4-
HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID
A2H4G0.72
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.71
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.72
B76A,B2E9D0.7
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.73
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.73
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.8
3A3A2CGU0.73
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
2BT40.73
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.74
TRTFRAGMENT OF TRITON X-100A,E2I0U0.71
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.71
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.71
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.71
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.75
NOANAPHTHYLOXYACETIC ACIDI1IVP0.75
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.73
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.76
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.78
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.72
SWFS-WARFARINA,B1OG50.73
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.76
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.77
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.77
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2JJ30.71
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2QE40.71
D32(2,3-dimethyl-4-{[2-(prop-2-yn-
1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid
A3GZ90.81
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.71
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.71
MAXMATAIRESINOLA2BGM0.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.7
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.7
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.73
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.76
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID
A2OFF0.7