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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03089724

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.78
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.91
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.91
IDRL-IDURONIC ACIDA2V380.87
IDRL-IDURONIC ACIDA1HM20.87
IDRL-IDURONIC ACIDA2ERM0.87
MAVD-MANNURONIC ACIDA,B1J1N0.87
MAVD-MANNURONIC ACIDA1Y3P0.87
MAVD-MANNURONIC ACIDA,B,D2PYH0.87
MAVD-MANNURONIC ACIDA1Y3N0.87
MAVD-MANNURONIC ACIDA1HV60.87
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.76
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.76
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.79
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.83
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.83
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.83
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.82
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.84
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.8
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.8
KDP2-KETO-DEOXY-GALACTOSEA2V820.72
GTRGALACTURONIC ACIDA1KCD0.87
GTRGALACTURONIC ACIDA1KCC0.87
GTRGALACTURONIC ACIDA1N7Q0.87
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.76
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.8
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.91
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.91
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.91
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.91
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.77
TAGD-tagatoseA,B,C,D2QUM0.72
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.85
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)
A1X1J0.72
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.78
AOSD-ALLOSEA,B,C,D2I570.8
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.85
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.85
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.85
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.85
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.85
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.85
FUDD-fructoseA,B,C,D2QUN0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.87
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.87
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE
A1X6U0.71
LGUALPHA-L-GULURONATEA2ZAC0.87
LGUALPHA-L-GULURONATEA2ZAA0.87
LGUALPHA-L-GULURONATEA,B2QJR0.87
LGUALPHA-L-GULURONATEA2ZAB0.87
LGUALPHA-L-GULURONATEA,B1J1N0.87
LGUALPHA-L-GULURONATEA1Y3P0.87
LGTL-GLUCARIC ACIDA,B,C,D3CB30.81
LGTL-GLUCARIC ACIDA,B,C2PP30.81
CKP(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-
5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-
2-CARBOXYLIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2DCN0.75
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.78
DNOD-mannoseA3BDK0.8
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.81
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.81
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.81
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.83
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.83
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.79
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.79
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.81
RNSL-RHAMNOSEA,B,C,D1X8D0.8
RNSL-RHAMNOSEA,B,C,D1DE60.8
RNSL-RHAMNOSEA,B,C,D2I560.8
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.8
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.76
XLSD-XYLOSE (LINEAR FORM)A2BRP0.76
XLSD-XYLOSE (LINEAR FORM)A3XIS0.76
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.76
XLSD-XYLOSE (LINEAR FORM)A4XIS0.76
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.76
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.76
XLSD-XYLOSE (LINEAR FORM)A8XIA0.76
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.76
XLSD-XYLOSE (LINEAR FORM)A1XIC0.76
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.8
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.8
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.8
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.8
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.8
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.8
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.8
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.8
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.8
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.8
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.8
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.8
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.8
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.8
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.8
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.8
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.8
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.8
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.8
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.8
IDSO2-SULFO-GLUCURONIC ACID11QQP0.8
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.8
BEMbeta-D-mannuronic acidA2ZAA0.87
BEMbeta-D-mannuronic acidA2ZAC0.87
BEMbeta-D-mannuronic acidA2ZAB0.87
BEMbeta-D-mannuronic acidA1Y3N0.87
BEMbeta-D-mannuronic acidA1Y3P0.87
BEMbeta-D-mannuronic acidA,B1J1N0.87
GKRD-GLUCARATEA3CXT0.81
GKRD-GLUCARATEA,B1JCT0.81
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.8
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.8
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.8
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.8
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.8
GLOD-GLUCOSE IN LINEAR FORMA1AC00.8
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.8
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.79
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
CS2D-MANNONIC ACIDA,B,C,D2QJM0.82
CS2D-MANNONIC ACIDA,B3DBN0.82
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.71
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.71
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.71
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.71
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.71
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.71
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.83
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.83
TGUTRIGALACTURONIC ACIDA2V8K0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.87
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.87
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.87
GCUD-GLUCURONIC ACIDA1HMW0.87
GCUD-GLUCURONIC ACIDA2JCQ0.87
GCUD-GLUCURONIC ACIDA3HYA0.87
GCUD-GLUCURONIC ACIDA,B2FUQ0.87
GCUD-GLUCURONIC ACIDA1DBG0.87
GCUD-GLUCURONIC ACIDA1FCV0.87
GCUD-GLUCURONIC ACIDA1OFM0.87
GCUD-GLUCURONIC ACIDA,B3E7J0.87
GCUD-GLUCURONIC ACIDA1CB80.87
GCUD-GLUCURONIC ACIDA1HV60.87
GCUD-GLUCURONIC ACIDA1HMU0.87
GCUD-GLUCURONIC ACIDA,B,C3E800.87
GCUD-GLUCURONIC ACIDA,B2VZR0.87
GCUD-GLUCURONIC ACIDA2HYA0.87
GCUD-GLUCURONIC ACIDA1OFL0.87
GCUD-GLUCURONIC ACIDA,B2W870.87
GCUD-GLUCURONIC ACIDA1MQQ0.87
GCUD-GLUCURONIC ACIDA1HM20.87
GCUD-GLUCURONIC ACIDA1HYA0.87
GCUD-GLUCURONIC ACIDA2C4S0.87
GCUD-GLUCURONIC ACIDA4HYA0.87
GCUD-GLUCURONIC ACIDA1C4S0.87
GCUD-GLUCURONIC ACIDA1HM30.87
GCUD-GLUCURONIC ACIDA1DBO0.87
GCOGLUCONIC ACIDB,C,D1BGG0.82
GCOGLUCONIC ACIDA,B1XLF0.82
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.81
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.73
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.73
AD0DIGALACTURONIC ACIDA,B2UVF0.78
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.89
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.89
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.89
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.76
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.84
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.84
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.84
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.84
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.84
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.84
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.93