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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03034091

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,C1Q9W0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.7
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.7
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.77
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.77
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.77
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.77
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.77
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.77
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.78
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.73
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.74
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.74
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.74
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.79
AOSD-ALLOSEA,B,C,D2I570.87
GCUD-GLUCURONIC ACIDA1HMW0.75
GCUD-GLUCURONIC ACIDA2JCQ0.75
GCUD-GLUCURONIC ACIDA3HYA0.75
GCUD-GLUCURONIC ACIDA,B2FUQ0.75
GCUD-GLUCURONIC ACIDA1DBG0.75
GCUD-GLUCURONIC ACIDA1FCV0.75
GCUD-GLUCURONIC ACIDA1OFM0.75
GCUD-GLUCURONIC ACIDA,B3E7J0.75
GCUD-GLUCURONIC ACIDA1CB80.75
GCUD-GLUCURONIC ACIDA1HV60.75
GCUD-GLUCURONIC ACIDA1HMU0.75
GCUD-GLUCURONIC ACIDA,B,C3E800.75
GCUD-GLUCURONIC ACIDA,B2VZR0.75
GCUD-GLUCURONIC ACIDA2HYA0.75
GCUD-GLUCURONIC ACIDA1OFL0.75
GCUD-GLUCURONIC ACIDA,B2W870.75
GCUD-GLUCURONIC ACIDA1MQQ0.75
GCUD-GLUCURONIC ACIDA1HM20.75
GCUD-GLUCURONIC ACIDA1HYA0.75
GCUD-GLUCURONIC ACIDA2C4S0.75
GCUD-GLUCURONIC ACIDA4HYA0.75
GCUD-GLUCURONIC ACIDA1C4S0.75
GCUD-GLUCURONIC ACIDA1HM30.75
GCUD-GLUCURONIC ACIDA1DBO0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.75
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.75
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.75
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.73
DNOD-mannoseA3BDK0.87
GKRD-GLUCARATEA3CXT0.78
GKRD-GLUCARATEA,B1JCT0.78
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.75
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.8
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.7
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.74
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.74
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.73
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.73
FUDD-fructoseA,B,C,D2QUN0.78
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.74
TAGD-tagatoseA,B,C,D2QUM0.78
BEMbeta-D-mannuronic acidA2ZAA0.75
BEMbeta-D-mannuronic acidA2ZAC0.75
BEMbeta-D-mannuronic acidA2ZAB0.75
BEMbeta-D-mannuronic acidA1Y3N0.75
BEMbeta-D-mannuronic acidA1Y3P0.75
BEMbeta-D-mannuronic acidA,B1J1N0.75
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.74
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.74
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.74
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.74
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.74
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.74
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.79
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.7
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.81
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.81
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.81
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.81
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.77
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.77
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.77
GCOGLUCONIC ACIDB,C,D1BGG0.79
GCOGLUCONIC ACIDA,B1XLF0.79
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.7
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.74
RNSL-RHAMNOSEA,B,C,D1X8D0.8
RNSL-RHAMNOSEA,B,C,D1DE60.8
RNSL-RHAMNOSEA,B,C,D2I560.8
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
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.7
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.7
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.75
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.81
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.81
LGUALPHA-L-GULURONATEA2ZAC0.75
LGUALPHA-L-GULURONATEA2ZAA0.75
LGUALPHA-L-GULURONATEA,B2QJR0.75
LGUALPHA-L-GULURONATEA2ZAB0.75
LGUALPHA-L-GULURONATEA,B1J1N0.75
LGUALPHA-L-GULURONATEA1Y3P0.75
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.73
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.73
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.72
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.72
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.72
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.79
MAVD-MANNURONIC ACIDA,B1J1N0.75
MAVD-MANNURONIC ACIDA1Y3P0.75
MAVD-MANNURONIC ACIDA,B,D2PYH0.75
MAVD-MANNURONIC ACIDA1Y3N0.75
MAVD-MANNURONIC ACIDA1HV60.75
IDRL-IDURONIC ACIDA2V380.75
IDRL-IDURONIC ACIDA1HM20.75
IDRL-IDURONIC ACIDA2ERM0.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.73
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.73
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.73
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.73
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.73
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.73
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.78
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.78
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.78
GTRGALACTURONIC ACIDA1KCD0.75
GTRGALACTURONIC ACIDA1KCC0.75
GTRGALACTURONIC ACIDA1N7Q0.75
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.7
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.7
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.7
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.7
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.7
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.7
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.7
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.7
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.7
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.7
CS2D-MANNONIC ACIDA,B,C,D2QJM0.79
CS2D-MANNONIC ACIDA,B3DBN0.79
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.87
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.87
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.87
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.87
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.87
GLOD-GLUCOSE IN LINEAR FORMA1AC00.87
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.87
LGTL-GLUCARIC ACIDA,B,C,D3CB30.78
LGTL-GLUCARIC ACIDA,B,C2PP30.78
AD0DIGALACTURONIC ACIDA,B2UVF0.7
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.75