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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01226461

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
A2IMF0.78
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.77
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.75
MAXMATAIRESINOLA2BGM0.71
2612-ethoxyphenolX2RB10.86
DCNDICLOSANA,B,C,D2PD40.73
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.76
258(2-chloroethoxy)benzeneX2RAY0.75
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.75
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
SXXSINAPINATEA,B1WB40.74
FOA2-FUROIC ACIDA,B2GF30.72
FOA2-FUROIC ACIDA,B,D2GAG0.72
FOA2-FUROIC ACIDA,B,C,D2GAH0.72
2682-phenoxyethanolA2RBR0.85
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.77
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.74
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.74
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose
A2VGD0.71
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
2BT40.71
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.7
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.74
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.74
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.75
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.78
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.72
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.78
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.77
NOANAPHTHYLOXYACETIC ACIDI1IVP0.77
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.71
8CM8-HYDROXYCOUMARINA2H8Z0.74
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.84
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.76
3A3A2CGU0.7
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.78
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.78
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.78
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.73
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.7
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.8
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.72
AI73-(heptyloxy)benzoic acidA,B2O3Z0.7
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
COUCOUMARINA3CRB0.7
COUCOUMARINA2PMJ0.7
COUCOUMARINA2H900.7
COUCOUMARINA,B,C,D1Z100.7
COUCOUMARINA2PWB0.7