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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02255994

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.72
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.72
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.72
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.72
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.72
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.72
RNSL-RHAMNOSEA,B,C,D1X8D0.75
RNSL-RHAMNOSEA,B,C,D1DE60.75
RNSL-RHAMNOSEA,B,C,D2I560.75
SHO5-HYDROXYLAEVULINIC ACIDA1W310.7
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.73
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.73
R105-O-phosphono-D-ribonic acidA,B,C,D,E2VVQ0.71
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.74
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.71
IDRL-IDURONIC ACIDA2V380.76
IDRL-IDURONIC ACIDA1HM20.76
IDRL-IDURONIC ACIDA2ERM0.76
MAVD-MANNURONIC ACIDA,B1J1N0.76
MAVD-MANNURONIC ACIDA1Y3P0.76
MAVD-MANNURONIC ACIDA,B,D2PYH0.76
MAVD-MANNURONIC ACIDA1Y3N0.76
MAVD-MANNURONIC ACIDA1HV60.76
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.81
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.72
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.72
CS2D-MANNONIC ACIDA,B,C,D2QJM0.92
CS2D-MANNONIC ACIDA,B3DBN0.92
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.7
XLSD-XYLOSE (LINEAR FORM)A2BRP0.7
XLSD-XYLOSE (LINEAR FORM)A3XIS0.7
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.7
XLSD-XYLOSE (LINEAR FORM)A4XIS0.7
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.7
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.7
XLSD-XYLOSE (LINEAR FORM)A8XIA0.7
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.7
XLSD-XYLOSE (LINEAR FORM)A1XIC0.7
GTRGALACTURONIC ACIDA1KCD0.76
GTRGALACTURONIC ACIDA1KCC0.76
GTRGALACTURONIC ACIDA1N7Q0.76
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.8
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.8
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.8
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.8
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.8
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.8
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.8
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.8
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.8
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.8
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.82
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.9
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.9
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.9
LGTL-GLUCARIC ACIDA,B,C,D3CB30.9
LGTL-GLUCARIC ACIDA,B,C2PP30.9
GCOGLUCONIC ACIDB,C,D1BGG0.92
GCOGLUCONIC ACIDA,B1XLF0.92
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.75
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
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.73
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.73
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.72
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.72
DNOD-mannoseA3BDK0.82
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.79
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.79
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.79
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.8
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.8
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.8
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.96
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1TIW0.72
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA3E2R0.72
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1KB00.72
LGUALPHA-L-GULURONATEA2ZAC0.76
LGUALPHA-L-GULURONATEA2ZAA0.76
LGUALPHA-L-GULURONATEA,B2QJR0.76
LGUALPHA-L-GULURONATEA2ZAB0.76
LGUALPHA-L-GULURONATEA,B1J1N0.76
LGUALPHA-L-GULURONATEA1Y3P0.76
AOSD-ALLOSEA,B,C,D2I570.82
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.81
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.71
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.71
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.76
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID
A,B2NXG0.73
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2NX30.73
PA55-PHOSPHOARABINONIC ACIDA1NUH0.71
PA55-PHOSPHOARABINONIC ACIDA1X820.71
PA55-PHOSPHOARABINONIC ACIDA,B1QXR0.71
PA55-PHOSPHOARABINONIC ACIDA,B1G980.71
PA55-PHOSPHOARABINONIC ACIDA,B1TZC0.71
PA55-PHOSPHOARABINONIC ACIDA1GZV0.71
PA55-PHOSPHOARABINONIC ACIDA1X7N0.71
PA55-PHOSPHOARABINONIC ACIDA1C7R0.71
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.72
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.82
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.82
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.82
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.82
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.82
GLOD-GLUCOSE IN LINEAR FORMA1AC00.82
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.82
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.71
TAGD-tagatoseA,B,C,D2QUM0.8
ICTISOCITRIC ACIDA1IDE0.72
ICTISOCITRIC ACIDA,B2UXR0.72
ICTISOCITRIC ACIDA,B1XKD0.72
ICTISOCITRIC ACIDA8ICD0.72
ICTISOCITRIC ACIDA,B,D1XG40.72
ICTISOCITRIC ACIDA1CW70.72
ICTISOCITRIC ACIDA1GRO0.72
ICTISOCITRIC ACIDA1W8G0.72
ICTISOCITRIC ACIDA5ICD0.72
ICTISOCITRIC ACIDA,B1LWD0.72
ICTISOCITRIC ACIDA,B,C,D1ITW0.72
ICTISOCITRIC ACIDA,B,C,D1T0L0.72
ICTISOCITRIC ACIDA1PB10.72
ICTISOCITRIC ACIDA1GRP0.72
ICTISOCITRIC ACIDA1CW10.72
ICTISOCITRIC ACIDA,B,C,D,E,F2QFW0.72
ICTISOCITRIC ACIDA1B0J0.72
ICTISOCITRIC ACIDA1W7F0.72
ICTISOCITRIC ACIDA7ACN0.72
ICTISOCITRIC ACIDA1C970.72
ICTISOCITRIC ACIDA1P8F0.72
ICTISOCITRIC ACIDA2CSG0.72
KDP2-KETO-DEOXY-GALACTOSEA2V820.79
FUDD-fructoseA,B,C,D2QUN0.8
BEMbeta-D-mannuronic acidA2ZAA0.76
BEMbeta-D-mannuronic acidA2ZAC0.76
BEMbeta-D-mannuronic acidA2ZAB0.76
BEMbeta-D-mannuronic acidA1Y3N0.76
BEMbeta-D-mannuronic acidA1Y3P0.76
BEMbeta-D-mannuronic acidA,B1J1N0.76
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.92
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.94
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.83
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.83
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.9
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.96
GCUD-GLUCURONIC ACIDA1HMW0.76
GCUD-GLUCURONIC ACIDA2JCQ0.76
GCUD-GLUCURONIC ACIDA3HYA0.76
GCUD-GLUCURONIC ACIDA,B2FUQ0.76
GCUD-GLUCURONIC ACIDA1DBG0.76
GCUD-GLUCURONIC ACIDA1FCV0.76
GCUD-GLUCURONIC ACIDA1OFM0.76
GCUD-GLUCURONIC ACIDA,B3E7J0.76
GCUD-GLUCURONIC ACIDA1CB80.76
GCUD-GLUCURONIC ACIDA1HV60.76
GCUD-GLUCURONIC ACIDA1HMU0.76
GCUD-GLUCURONIC ACIDA,B,C3E800.76
GCUD-GLUCURONIC ACIDA,B2VZR0.76
GCUD-GLUCURONIC ACIDA2HYA0.76
GCUD-GLUCURONIC ACIDA1OFL0.76
GCUD-GLUCURONIC ACIDA,B2W870.76
GCUD-GLUCURONIC ACIDA1MQQ0.76
GCUD-GLUCURONIC ACIDA1HM20.76
GCUD-GLUCURONIC ACIDA1HYA0.76
GCUD-GLUCURONIC ACIDA2C4S0.76
GCUD-GLUCURONIC ACIDA4HYA0.76
GCUD-GLUCURONIC ACIDA1C4S0.76
GCUD-GLUCURONIC ACIDA1HM30.76
GCUD-GLUCURONIC ACIDA1DBO0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.76
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.76
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
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.85
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.85
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.85
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid
A,B3E120.72
GKRD-GLUCARATEA3CXT0.9
GKRD-GLUCARATEA,B1JCT0.9
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.84
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.84
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.83
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.83
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.83
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.83
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.71