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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02430723

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LGTL-GLUCARIC ACIDA,B,C,D3CB30.83
LGTL-GLUCARIC ACIDA,B,C2PP30.83
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.81
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.81
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.77
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.77
DNOD-mannoseA3BDK0.94
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.88
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.76
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.76
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.76
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.76
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.76
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.76
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.77
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.77
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.77
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.77
AOSD-ALLOSEA,B,C,D2I570.94
BEMbeta-D-mannuronic acidA2ZAA0.7
BEMbeta-D-mannuronic acidA2ZAC0.7
BEMbeta-D-mannuronic acidA2ZAB0.7
BEMbeta-D-mannuronic acidA1Y3N0.7
BEMbeta-D-mannuronic acidA1Y3P0.7
BEMbeta-D-mannuronic acidA,B1J1N0.7
CS2D-MANNONIC ACIDA,B,C,D2QJM0.84
CS2D-MANNONIC ACIDA,B3DBN0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.7
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.7
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.7
P6T1,6-di-O-phosphono-D-tagatoseA,B3GAY0.75
GCUD-GLUCURONIC ACIDA1HMW0.7
GCUD-GLUCURONIC ACIDA2JCQ0.7
GCUD-GLUCURONIC ACIDA3HYA0.7
GCUD-GLUCURONIC ACIDA,B2FUQ0.7
GCUD-GLUCURONIC ACIDA1DBG0.7
GCUD-GLUCURONIC ACIDA1FCV0.7
GCUD-GLUCURONIC ACIDA1OFM0.7
GCUD-GLUCURONIC ACIDA,B3E7J0.7
GCUD-GLUCURONIC ACIDA1CB80.7
GCUD-GLUCURONIC ACIDA1HV60.7
GCUD-GLUCURONIC ACIDA1HMU0.7
GCUD-GLUCURONIC ACIDA,B,C3E800.7
GCUD-GLUCURONIC ACIDA,B2VZR0.7
GCUD-GLUCURONIC ACIDA2HYA0.7
GCUD-GLUCURONIC ACIDA1OFL0.7
GCUD-GLUCURONIC ACIDA,B2W870.7
GCUD-GLUCURONIC ACIDA1MQQ0.7
GCUD-GLUCURONIC ACIDA1HM20.7
GCUD-GLUCURONIC ACIDA1HYA0.7
GCUD-GLUCURONIC ACIDA2C4S0.7
GCUD-GLUCURONIC ACIDA4HYA0.7
GCUD-GLUCURONIC ACIDA1C4S0.7
GCUD-GLUCURONIC ACIDA1HM30.7
GCUD-GLUCURONIC ACIDA1DBO0.7
DRZ3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHATEA,C1M3Q0.73
GCOGLUCONIC ACIDB,C,D1BGG0.84
GCOGLUCONIC ACIDA,B1XLF0.84
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG0.75
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.8
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.89
XLSD-XYLOSE (LINEAR FORM)A2BRP0.89
XLSD-XYLOSE (LINEAR FORM)A3XIS0.89
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.89
XLSD-XYLOSE (LINEAR FORM)A4XIS0.89
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.89
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.89
XLSD-XYLOSE (LINEAR FORM)A8XIA0.89
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.89
XLSD-XYLOSE (LINEAR FORM)A1XIC0.89
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.72
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.72
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.72
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.75
R525-O-phosphono-D-riboseA,B,C,D,E2VVP0.77
MAVD-MANNURONIC ACIDA,B1J1N0.7
MAVD-MANNURONIC ACIDA1Y3P0.7
MAVD-MANNURONIC ACIDA,B,D2PYH0.7
MAVD-MANNURONIC ACIDA1Y3N0.7
MAVD-MANNURONIC ACIDA1HV60.7
KDP2-KETO-DEOXY-GALACTOSEA2V820.76
IDRL-IDURONIC ACIDA2V380.7
IDRL-IDURONIC ACIDA1HM20.7
IDRL-IDURONIC ACIDA2ERM0.7
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.74
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.74
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.74
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.74
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.74
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.74
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.74
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.74
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.74
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.74
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.84
GTRGALACTURONIC ACIDA1KCD0.7
GTRGALACTURONIC ACIDA1KCC0.7
GTRGALACTURONIC ACIDA1N7Q0.7
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.71
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.71
P6F1,6-di-O-phosphono-D-fructoseA,B3GB60.75
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.77
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.94
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.94
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.94
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.94
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.94
GLOD-GLUCOSE IN LINEAR FORMA1AC00.94
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.94
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.82
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.82
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.82
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.82
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.82
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.82
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.74
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.74
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.75
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.79
HMS5-O-phosphono-L-ribuloseA,B1XBX0.7
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.8
GKRD-GLUCARATEA3CXT0.83
GKRD-GLUCARATEA,B1JCT0.83
TAGD-tagatoseA,B,C,D2QUM0.88
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.83
5RPRIBULOSE-5-PHOSPHATEA,B1XBY0.7
5RPRIBULOSE-5-PHOSPHATEA,B1XBX0.7
5RPRIBULOSE-5-PHOSPHATEA1UJ50.7
5RPRIBULOSE-5-PHOSPHATEA,B1PVY0.7
5RPRIBULOSE-5-PHOSPHATEA2RIU0.7
5RPRIBULOSE-5-PHOSPHATEA,B1SNN0.7
5RPRIBULOSE-5-PHOSPHATEA,B1TKU0.7
5RPRIBULOSE-5-PHOSPHATEA,B3HHE0.7
5RPRIBULOSE-5-PHOSPHATEA,B1XBV0.7
5RPRIBULOSE-5-PHOSPHATEA,B,C2ISS0.7
5RPRIBULOSE-5-PHOSPHATEA,B,C2IYP0.7
5RPRIBULOSE-5-PHOSPHATEA,B,C,D,E2VVP0.7
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.86
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.86
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.86
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.81
XULD-XYLULOSEA3CWH0.81
XULD-XYLULOSEA1XII0.81
XULD-XYLULOSEA,B2ITM0.81
FUDD-fructoseA,B,C,D2QUN0.88
LGUALPHA-L-GULURONATEA2ZAC0.7
LGUALPHA-L-GULURONATEA2ZAA0.7
LGUALPHA-L-GULURONATEA,B2QJR0.7
LGUALPHA-L-GULURONATEA2ZAB0.7
LGUALPHA-L-GULURONATEA,B1J1N0.7
LGUALPHA-L-GULURONATEA1Y3P0.7
RNSL-RHAMNOSEA,B,C,D1X8D0.94
RNSL-RHAMNOSEA,B,C,D1DE60.94
RNSL-RHAMNOSEA,B,C,D2I560.94
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.7