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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02346830

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
2612-ethoxyphenolX2RB10.72
BPYBIPHENYL-2,3-DIOLA1KMY0.7
BPYBIPHENYL-2,3-DIOLB1KW80.7
BPYBIPHENYL-2,3-DIOLA2EI30.7
BPYBIPHENYL-2,3-DIOLA1EIR0.7
BPYBIPHENYL-2,3-DIOLB1KW60.7
BPYBIPHENYL-2,3-DIOLB1KWC0.7
BPYBIPHENYL-2,3-DIOLB1KW90.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.79
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.79
CIOCILOMILASTA,B1XOM0.72
CIOCILOMILASTA,B1XLX0.72
SXXSINAPINATEA,B1WB40.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
MBD3-METHYLCATECHOLA1KNF0.72
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.74
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E1EZV0.72
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1P840.72
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E2IBZ0.72
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1KB90.72
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,B1JP30.7
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
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.78
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.71
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.78
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.74
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.74
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.83
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.83
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.83
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.83
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.83
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.83
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.83
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.83
MAXMATAIRESINOLA2BGM0.72
VXXVANILLATEA,B1WB60.71
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.72
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.72
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.76
8CM8-HYDROXYCOUMARINA2H8Z0.7
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.76
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
CTF(17beta)-17-(cyanomethyl)-2-methoxyestra-
1(10),2,4-trien-3-yl sulfamate
A3BET0.73