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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02384742

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPM3-ISOPROPYLMALIC ACIDA,B1A050.71
IPM3-ISOPROPYLMALIC ACIDA1HJ60.71
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.7
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.91
XLSD-XYLOSE (LINEAR FORM)A2BRP0.91
XLSD-XYLOSE (LINEAR FORM)A3XIS0.91
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.91
XLSD-XYLOSE (LINEAR FORM)A4XIS0.91
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.91
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.91
XLSD-XYLOSE (LINEAR FORM)A8XIA0.91
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.91
XLSD-XYLOSE (LINEAR FORM)A1XIC0.91
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.7
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.78
R525-O-phosphono-D-riboseA,B,C,D,E2VVP0.79
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
P6T1,6-di-O-phosphono-D-tagatoseA,B3GAY0.7
ICTISOCITRIC ACIDA1IDE0.71
ICTISOCITRIC ACIDA,B2UXR0.71
ICTISOCITRIC ACIDA,B1XKD0.71
ICTISOCITRIC ACIDA8ICD0.71
ICTISOCITRIC ACIDA,B,D1XG40.71
ICTISOCITRIC ACIDA1CW70.71
ICTISOCITRIC ACIDA1GRO0.71
ICTISOCITRIC ACIDA1W8G0.71
ICTISOCITRIC ACIDA5ICD0.71
ICTISOCITRIC ACIDA,B1LWD0.71
ICTISOCITRIC ACIDA,B,C,D1ITW0.71
ICTISOCITRIC ACIDA,B,C,D1T0L0.71
ICTISOCITRIC ACIDA1PB10.71
ICTISOCITRIC ACIDA1GRP0.71
ICTISOCITRIC ACIDA1CW10.71
ICTISOCITRIC ACIDA,B,C,D,E,F2QFW0.71
ICTISOCITRIC ACIDA1B0J0.71
ICTISOCITRIC ACIDA1W7F0.71
ICTISOCITRIC ACIDA7ACN0.71
ICTISOCITRIC ACIDA1C970.71
ICTISOCITRIC ACIDA1P8F0.71
ICTISOCITRIC ACIDA2CSG0.71
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.71
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.71
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.71
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.71
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.71
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.71
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.82
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ0.7
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD0.7
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI0.7
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG0.7
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF0.7
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD0.7
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG0.7
DRZ3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHATEA,C1M3Q0.75
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.82
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
RNSL-RHAMNOSEA,B,C,D1X8D1
RNSL-RHAMNOSEA,B,C,D1DE61
RNSL-RHAMNOSEA,B,C,D2I561
LGTL-GLUCARIC ACIDA,B,C,D3CB30.81
LGTL-GLUCARIC ACIDA,B,C2PP30.81
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.71
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.84
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.81
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.81
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.81
TAGD-tagatoseA,B,C,D2QUM0.82
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.72
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.72
KDP2-KETO-DEOXY-GALACTOSEA2V820.71
E4PERYTHOSE-4-PHOSPHATEA,B1NGS0.71
E4PERYTHOSE-4-PHOSPHATEA,B1U0G0.71
E4PERYTHOSE-4-PHOSPHATEA,B1FWT0.71
E4PERYTHOSE-4-PHOSPHATEA,B1RZM0.71
E4PERYTHOSE-4-PHOSPHATEA,B,C,D1IRI0.71
FUDD-fructoseA,B,C,D2QUN0.82
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.73
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.8
GKRD-GLUCARATEA3CXT0.81
GKRD-GLUCARATEA,B1JCT0.81
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.78
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.72
CS2D-MANNONIC ACIDA,B,C,D2QJM0.82
CS2D-MANNONIC ACIDA,B3DBN0.82
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.7
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.7
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.7
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEB,C,D,E,F,G,H3GK00.71
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,E,F,G1M5W0.71
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,D1IXN0.71
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B1Q0Q0.71
DNOD-mannoseA3BDK0.92
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.79
XULD-XYLULOSEA3CWH0.79
XULD-XYLULOSEA1XII0.79
XULD-XYLULOSEA,B2ITM0.79
GCOGLUCONIC ACIDB,C,D1BGG0.82
GCOGLUCONIC ACIDA,B1XLF0.82
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.72
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.72
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.72
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.72
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.72
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.72
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.72
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.72
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.72
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.72
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
THETHREONATE IONA1XIJ0.71
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.74
P6F1,6-di-O-phosphono-D-fructoseA,B3GB60.7