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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01821550

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
258(2-chloroethoxy)benzeneX2RAY0.74
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.75
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.74
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.74
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.73
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,B1JP30.73
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
A2W220.73
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.7
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.74
OHT4-HYDROXYTAMOXIFENA3ERT0.75
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.75
OHT4-HYDROXYTAMOXIFENA,B1VJB0.75
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.75
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.75
OHT4-HYDROXYTAMOXIFENA2GPU0.75
OHT4-HYDROXYTAMOXIFENA2P7Z0.75
OHT4-HYDROXYTAMOXIFENA,B2BJ40.75
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.75
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.74
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.71
OXNOXTOXYNOL-10A1IKT0.73
OXNOXTOXYNOL-10A,B2Q320.73
OXNOXTOXYNOL-10A,B1UEH0.73
OXNOXTOXYNOL-10A,B2D4Q0.73
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.73
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.82
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.82
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.78
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.82
8CM8-HYDROXYCOUMARINA2H8Z0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.7
NOANAPHTHYLOXYACETIC ACIDI1IVP0.7
DCNDICLOSANA,B,C,D2PD40.82
TCLTRICLOSANA,B,C,D2PD30.78
TCLTRICLOSANA,B1P450.78
TCLTRICLOSANA,B,C,D,E,F2B350.78
TCLTRICLOSANA,B1D8A0.78
TCLTRICLOSANA,B1C140.78
TCLTRICLOSANA,B,C,D2QIO0.78
TCLTRICLOSANA,B1NHG0.78
TCLTRICLOSANA1D7O0.78
TCLTRICLOSANA,B,C,D2O2Y0.78
TCLTRICLOSANA,B1UH50.78
TCLTRICLOSANA,B2O2S0.78
TCLTRICLOSANA,B,C,D1QG60.78
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.78
CAQCATECHOLB2BUY0.74
CAQCATECHOLA1KND0.74
CAQCATECHOLB2BUQ0.74
CAQCATECHOLA,B1DLT0.74
CAQCATECHOLA1XEP0.74
CAQCATECHOLA2PUM0.74
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.72
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.74
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.74
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.74
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.78
MAXMATAIRESINOLA2BGM0.74
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.7
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.76
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.75
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.74
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.73
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.75
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.74
2682-phenoxyethanolA2RBR0.83
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.74
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.75
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.75
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.75
B76A,B2E9D0.76
2612-ethoxyphenolX2RB10.9