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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03033680

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GCUD-GLUCURONIC ACIDA1HMW0.73
GCUD-GLUCURONIC ACIDA2JCQ0.73
GCUD-GLUCURONIC ACIDA3HYA0.73
GCUD-GLUCURONIC ACIDA,B2FUQ0.73
GCUD-GLUCURONIC ACIDA1DBG0.73
GCUD-GLUCURONIC ACIDA1FCV0.73
GCUD-GLUCURONIC ACIDA1OFM0.73
GCUD-GLUCURONIC ACIDA,B3E7J0.73
GCUD-GLUCURONIC ACIDA1CB80.73
GCUD-GLUCURONIC ACIDA1HV60.73
GCUD-GLUCURONIC ACIDA1HMU0.73
GCUD-GLUCURONIC ACIDA,B,C3E800.73
GCUD-GLUCURONIC ACIDA,B2VZR0.73
GCUD-GLUCURONIC ACIDA2HYA0.73
GCUD-GLUCURONIC ACIDA1OFL0.73
GCUD-GLUCURONIC ACIDA,B2W870.73
GCUD-GLUCURONIC ACIDA1MQQ0.73
GCUD-GLUCURONIC ACIDA1HM20.73
GCUD-GLUCURONIC ACIDA1HYA0.73
GCUD-GLUCURONIC ACIDA2C4S0.73
GCUD-GLUCURONIC ACIDA4HYA0.73
GCUD-GLUCURONIC ACIDA1C4S0.73
GCUD-GLUCURONIC ACIDA1HM30.73
GCUD-GLUCURONIC ACIDA1DBO0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.73
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.73
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.74
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.84
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.8
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.71
RNSL-RHAMNOSEA,B,C,D1X8D0.85
RNSL-RHAMNOSEA,B,C,D1DE60.85
RNSL-RHAMNOSEA,B,C,D2I560.85
KDP2-KETO-DEOXY-GALACTOSEA2V820.7
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.77
XLSD-XYLOSE (LINEAR FORM)A2BRP0.77
XLSD-XYLOSE (LINEAR FORM)A3XIS0.77
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.77
XLSD-XYLOSE (LINEAR FORM)A4XIS0.77
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.77
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.77
XLSD-XYLOSE (LINEAR FORM)A8XIA0.77
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.77
XLSD-XYLOSE (LINEAR FORM)A1XIC0.77
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.89
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.89
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.89
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.89
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.89
GLOD-GLUCOSE IN LINEAR FORMA1AC00.89
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.89
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.78
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.78
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.71
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.71
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.77
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.78
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.78
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.78
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.78
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.78
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.78
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.75
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.79
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.79
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.79
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.72
LGTL-GLUCARIC ACIDA,B,C,D3CB30.79
LGTL-GLUCARIC ACIDA,B,C2PP30.79
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.75
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.75
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.75
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.75
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.75
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.75
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.77
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.71
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.71
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.71
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.71
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.71
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.71
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.71
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.71
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.71
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.71
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.8
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.78
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.78
BEMbeta-D-mannuronic acidA2ZAA0.73
BEMbeta-D-mannuronic acidA2ZAC0.73
BEMbeta-D-mannuronic acidA2ZAB0.73
BEMbeta-D-mannuronic acidA1Y3N0.73
BEMbeta-D-mannuronic acidA1Y3P0.73
BEMbeta-D-mannuronic acidA,B1J1N0.73
XULD-XYLULOSEA3CWH0.7
XULD-XYLULOSEA1XII0.7
XULD-XYLULOSEA,B2ITM0.7
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.78
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.77
CS2D-MANNONIC ACIDA,B,C,D2QJM0.8
CS2D-MANNONIC ACIDA,B3DBN0.8
AD0DIGALACTURONIC ACIDA,B2UVF0.74
GKRD-GLUCARATEA3CXT0.79
GKRD-GLUCARATEA,B1JCT0.79
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.7
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.7
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.7
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.7
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.7
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.7
TAGD-tagatoseA,B,C,D2QUM0.8
LGUALPHA-L-GULURONATEA2ZAC0.73
LGUALPHA-L-GULURONATEA2ZAA0.73
LGUALPHA-L-GULURONATEA,B2QJR0.73
LGUALPHA-L-GULURONATEA2ZAB0.73
LGUALPHA-L-GULURONATEA,B1J1N0.73
LGUALPHA-L-GULURONATEA1Y3P0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.73
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.71
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.71
FUDD-fructoseA,B,C,D2QUN0.8
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.77
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.77
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.77
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.77
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.77
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.77
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.73
MAVD-MANNURONIC ACIDA,B1J1N0.73
MAVD-MANNURONIC ACIDA1Y3P0.73
MAVD-MANNURONIC ACIDA,B,D2PYH0.73
MAVD-MANNURONIC ACIDA1Y3N0.73
MAVD-MANNURONIC ACIDA1HV60.73
IDRL-IDURONIC ACIDA2V380.73
IDRL-IDURONIC ACIDA1HM20.73
IDRL-IDURONIC ACIDA2ERM0.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.8
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.8
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.8
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.8
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.79
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.75
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.75
AOSD-ALLOSEA,B,C,D2I570.89
46D(4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-
CARBOXY-TETRAHYDRO-4,5,6-TRIHYDROXY-
2H-PYRAN-2-YLOXY)-HEXAHYDRO-6,7-
DIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID)
A1X1J0.71
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.75
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.75
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.75
GCOGLUCONIC ACIDB,C,D1BGG0.8
GCOGLUCONIC ACIDA,B1XLF0.8
DNOD-mannoseA3BDK0.89
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.7
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.7
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.7
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.8
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.8
GTRGALACTURONIC ACIDA1KCD0.73
GTRGALACTURONIC ACIDA1KCC0.73
GTRGALACTURONIC ACIDA1N7Q0.73
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.82