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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02900336

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.86
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.73
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.84
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.76
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.76
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.92
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.92
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.92
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.92
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.92
GLOD-GLUCOSE IN LINEAR FORMA1AC00.92
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.92
KDP2-KETO-DEOXY-GALACTOSEA2V820.72
RNSL-RHAMNOSEA,B,C,D1X8D0.84
RNSL-RHAMNOSEA,B,C,D1DE60.84
RNSL-RHAMNOSEA,B,C,D2I560.84
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.83
XULD-XYLULOSEA3CWH0.72
XULD-XYLULOSEA1XII0.72
XULD-XYLULOSEA,B2ITM0.72
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.83
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.75
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.75
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.75
LGTL-GLUCARIC ACIDA,B,C,D3CB30.81
LGTL-GLUCARIC ACIDA,B,C2PP30.81
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.81
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.81
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.81
P6F1,6-di-O-phosphono-D-fructoseA,B3GB60.71
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.77
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.77
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.77
TAGD-tagatoseA,B,C,D2QUM0.82
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.74
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.81
P6T1,6-di-O-phosphono-D-tagatoseA,B3GAY0.71
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.72
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.72
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.72
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.72
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.72
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.72
FUDD-fructoseA,B,C,D2QUN0.82
CS2D-MANNONIC ACIDA,B,C,D2QJM0.83
CS2D-MANNONIC ACIDA,B3DBN0.83
GKRD-GLUCARATEA3CXT0.81
GKRD-GLUCARATEA,B1JCT0.81
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ0.71
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD0.71
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI0.71
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG0.71
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF0.71
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD0.71
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG0.71
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.73
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.73
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.73
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.73
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.73
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.73
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.73
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.73
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.73
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.73
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.74
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.86
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.72
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.72
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.72
GCOGLUCONIC ACIDB,C,D1BGG0.83
GCOGLUCONIC ACIDA,B1XLF0.83
DNOD-mannoseA3BDK0.92
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.73
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.73
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.73
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.8
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.8
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.8
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.8
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.8
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.8
AOSD-ALLOSEA,B,C,D2I570.92
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.76
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.8
XLSD-XYLOSE (LINEAR FORM)A2BRP0.8
XLSD-XYLOSE (LINEAR FORM)A3XIS0.8
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.8
XLSD-XYLOSE (LINEAR FORM)A4XIS0.8
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.8
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.8
XLSD-XYLOSE (LINEAR FORM)A8XIA0.8
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.8
XLSD-XYLOSE (LINEAR FORM)A1XIC0.8
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.74