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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002552

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.76
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.76
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.77
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.71
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.71
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.72
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.76
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.76
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.74
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.71
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.82
2682-phenoxyethanolA2RBR0.91
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.81
8CM8-HYDROXYCOUMARINA2H8Z0.71
OXNOXTOXYNOL-10A1IKT0.77
OXNOXTOXYNOL-10A,B2Q320.77
OXNOXTOXYNOL-10A,B1UEH0.77
OXNOXTOXYNOL-10A,B2D4Q0.77
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.71
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,B1JP30.77
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
A2W220.77
DCNDICLOSANA,B,C,D2PD40.77
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.71
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.72
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.72
2612-ethoxyphenolX2RB10.93
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.74
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.78
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.71
SXXSINAPINATEA,B1WB40.73
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.71
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.75
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.75
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.71
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.75
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.8
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.8
CAQCATECHOLB2BUY0.74
CAQCATECHOLA1KND0.74
CAQCATECHOLB2BUQ0.74
CAQCATECHOLA,B1DLT0.74
CAQCATECHOLA1XEP0.74
CAQCATECHOLA2PUM0.74
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose
A2VGD0.73
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.78
TCLTRICLOSANA,B,C,D2PD30.73
TCLTRICLOSANA,B1P450.73
TCLTRICLOSANA,B,C,D,E,F2B350.73
TCLTRICLOSANA,B1D8A0.73
TCLTRICLOSANA,B1C140.73
TCLTRICLOSANA,B,C,D2QIO0.73
TCLTRICLOSANA,B1NHG0.73
TCLTRICLOSANA1D7O0.73
TCLTRICLOSANA,B,C,D2O2Y0.73
TCLTRICLOSANA,B1UH50.73
TCLTRICLOSANA,B2O2S0.73
TCLTRICLOSANA,B,C,D1QG60.73
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.73
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.72
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.75
258(2-chloroethoxy)benzeneX2RAY0.79
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.81
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.73
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.76
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.75