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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813689

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RNSL-RHAMNOSEA,B,C,D1X8D0.75
RNSL-RHAMNOSEA,B,C,D1DE60.75
RNSL-RHAMNOSEA,B,C,D2I560.75
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.78
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.78
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.78
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.78
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.78
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.78
AOSD-ALLOSEA,B,C,D2I570.76
CS2D-MANNONIC ACIDA,B,C,D2QJM0.75
CS2D-MANNONIC ACIDA,B3DBN0.75
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.78
TAGD-tagatoseA,B,C,D2QUM0.84
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ0.72
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD0.72
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI0.72
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG0.72
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF0.72
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD0.72
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG0.72
FUDD-fructoseA,B,C,D2QUN0.84
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.73
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.73
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.73
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.73
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.73
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.73
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.73
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.73
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.73
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.73
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.73
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.73
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.73
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.73
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.73
IDSO2-SULFO-GLUCURONIC ACID11QQP0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.73
P6T1,6-di-O-phosphono-D-tagatoseA,B3GAY0.72
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.78
XLSD-XYLOSE (LINEAR FORM)A2BRP0.78
XLSD-XYLOSE (LINEAR FORM)A3XIS0.78
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.78
XLSD-XYLOSE (LINEAR FORM)A4XIS0.78
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.78
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.78
XLSD-XYLOSE (LINEAR FORM)A8XIA0.78
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.78
XLSD-XYLOSE (LINEAR FORM)A1XIC0.78
LGUALPHA-L-GULURONATEA2ZAC0.8
LGUALPHA-L-GULURONATEA2ZAA0.8
LGUALPHA-L-GULURONATEA,B2QJR0.8
LGUALPHA-L-GULURONATEA2ZAB0.8
LGUALPHA-L-GULURONATEA,B1J1N0.8
LGUALPHA-L-GULURONATEA1Y3P0.8
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.81
DNOD-mannoseA3BDK0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.8
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.71
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.75
MAVD-MANNURONIC ACIDA,B1J1N0.8
MAVD-MANNURONIC ACIDA1Y3P0.8
MAVD-MANNURONIC ACIDA,B,D2PYH0.8
MAVD-MANNURONIC ACIDA1Y3N0.8
MAVD-MANNURONIC ACIDA1HV60.8
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.82
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.82
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.82
IDRL-IDURONIC ACIDA2V380.8
IDRL-IDURONIC ACIDA1HM20.8
IDRL-IDURONIC ACIDA2ERM0.8
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.73
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.84
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.84
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.84
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.84
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.84
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.84
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.77
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.76
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.76
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.76
GCOGLUCONIC ACIDB,C,D1BGG0.75
GCOGLUCONIC ACIDA,B1XLF0.75
GKRD-GLUCARATEA3CXT0.73
GKRD-GLUCARATEA,B1JCT0.73
AD0DIGALACTURONIC ACIDA,B2UVF0.71
XULD-XYLULOSEA3CWH0.78
XULD-XYLULOSEA1XII0.78
XULD-XYLULOSEA,B2ITM0.78
GTRGALACTURONIC ACIDA1KCD0.8
GTRGALACTURONIC ACIDA1KCC0.8
GTRGALACTURONIC ACIDA1N7Q0.8
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.76
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.76
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.76
GCUD-GLUCURONIC ACIDA1HMW0.8
GCUD-GLUCURONIC ACIDA2JCQ0.8
GCUD-GLUCURONIC ACIDA3HYA0.8
GCUD-GLUCURONIC ACIDA,B2FUQ0.8
GCUD-GLUCURONIC ACIDA1DBG0.8
GCUD-GLUCURONIC ACIDA1FCV0.8
GCUD-GLUCURONIC ACIDA1OFM0.8
GCUD-GLUCURONIC ACIDA,B3E7J0.8
GCUD-GLUCURONIC ACIDA1CB80.8
GCUD-GLUCURONIC ACIDA1HV60.8
GCUD-GLUCURONIC ACIDA1HMU0.8
GCUD-GLUCURONIC ACIDA,B,C3E800.8
GCUD-GLUCURONIC ACIDA,B2VZR0.8
GCUD-GLUCURONIC ACIDA2HYA0.8
GCUD-GLUCURONIC ACIDA1OFL0.8
GCUD-GLUCURONIC ACIDA,B2W870.8
GCUD-GLUCURONIC ACIDA1MQQ0.8
GCUD-GLUCURONIC ACIDA1HM20.8
GCUD-GLUCURONIC ACIDA1HYA0.8
GCUD-GLUCURONIC ACIDA2C4S0.8
GCUD-GLUCURONIC ACIDA4HYA0.8
GCUD-GLUCURONIC ACIDA1C4S0.8
GCUD-GLUCURONIC ACIDA1HM30.8
GCUD-GLUCURONIC ACIDA1DBO0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.71
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.8
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.8
ASO1,5-ANHYDROSORBITOLA1XIE0.7
ASO1,5-ANHYDROSORBITOLA3GUH0.7
ASO1,5-ANHYDROSORBITOLA,B2ASV0.7
ASO1,5-ANHYDROSORBITOLH,L2EC90.7
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.71
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.75
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA2OBD0.71
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA,D2IWG0.71
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.76
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.76
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.72
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.72
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.73
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.73
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.87
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.87
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
LGTL-GLUCARIC ACIDA,B,C,D3CB30.73
LGTL-GLUCARIC ACIDA,B,C2PP30.73
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.73
P6F1,6-di-O-phosphono-D-fructoseA,B3GB60.72
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.74
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.74
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.74
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.74
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.74
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.74
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.71
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.85
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.88
BEMbeta-D-mannuronic acidA2ZAA0.8
BEMbeta-D-mannuronic acidA2ZAC0.8
BEMbeta-D-mannuronic acidA2ZAB0.8
BEMbeta-D-mannuronic acidA1Y3N0.8
BEMbeta-D-mannuronic acidA1Y3P0.8
BEMbeta-D-mannuronic acidA,B1J1N0.8
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.76
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.76
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.76
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.76
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.76
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.76
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.76
GLOD-GLUCOSE IN LINEAR FORMA1AC00.76
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.76
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.71