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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02448685

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.75
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.84
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.84
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.84
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.84
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.84
GLOD-GLUCOSE IN LINEAR FORMA1AC00.84
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.84
IDRL-IDURONIC ACIDA2V380.81
IDRL-IDURONIC ACIDA1HM20.81
IDRL-IDURONIC ACIDA2ERM0.81
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.84
MAVD-MANNURONIC ACIDA,B1J1N0.81
MAVD-MANNURONIC ACIDA1Y3P0.81
MAVD-MANNURONIC ACIDA,B,D2PYH0.81
MAVD-MANNURONIC ACIDA1Y3N0.81
MAVD-MANNURONIC ACIDA1HV60.81
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)
A1X1J0.75
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.84
GCOGLUCONIC ACIDB,C,D1BGG0.86
GCOGLUCONIC ACIDA,B1XLF0.86
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.86
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.86
FUDD-fructoseA,B,C,D2QUN0.75
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.76
GTRGALACTURONIC ACIDA1KCD0.81
GTRGALACTURONIC ACIDA1KCC0.81
GTRGALACTURONIC ACIDA1N7Q0.81
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.76
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.76
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.75
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.75
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.75
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.75
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.75
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.75
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.75
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.75
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.75
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.75
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.75
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.75
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.75
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.75
IDSO2-SULFO-GLUCURONIC ACID11QQP0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.75
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.8
TAGD-tagatoseA,B,C,D2QUM0.75
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.8
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.8
GKRD-GLUCARATEA3CXT0.84
GKRD-GLUCARATEA,B1JCT0.84
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.82
CS2D-MANNONIC ACIDA,B,C,D2QJM0.86
CS2D-MANNONIC ACIDA,B3DBN0.86
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.71
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.83
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.83
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.83
KDP2-KETO-DEOXY-GALACTOSEA2V820.75
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.76
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.76
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.76
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.76
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.76
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.76
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.76
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.76
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.76
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.76
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.73
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.73
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.81
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.81
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.86
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.86
LGUALPHA-L-GULURONATEA2ZAC0.81
LGUALPHA-L-GULURONATEA2ZAA0.81
LGUALPHA-L-GULURONATEA,B2QJR0.81
LGUALPHA-L-GULURONATEA2ZAB0.81
LGUALPHA-L-GULURONATEA,B1J1N0.81
LGUALPHA-L-GULURONATEA1Y3P0.81
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.75
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.75
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.75
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.75
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.75
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.75
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.73
XLSD-XYLOSE (LINEAR FORM)A2BRP0.73
XLSD-XYLOSE (LINEAR FORM)A3XIS0.73
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.73
XLSD-XYLOSE (LINEAR FORM)A4XIS0.73
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.73
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.73
XLSD-XYLOSE (LINEAR FORM)A8XIA0.73
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.73
XLSD-XYLOSE (LINEAR FORM)A1XIC0.73
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
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.76
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.76
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.86
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.88
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.88
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.88
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.88
LGTL-GLUCARIC ACIDA,B,C,D3CB30.84
LGTL-GLUCARIC ACIDA,B,C2PP30.84
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.88
RNSL-RHAMNOSEA,B,C,D1X8D0.8
RNSL-RHAMNOSEA,B,C,D1DE60.8
RNSL-RHAMNOSEA,B,C,D2I560.8
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.84
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.84
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.84
BEMbeta-D-mannuronic acidA2ZAA0.81
BEMbeta-D-mannuronic acidA2ZAC0.81
BEMbeta-D-mannuronic acidA2ZAB0.81
BEMbeta-D-mannuronic acidA1Y3N0.81
BEMbeta-D-mannuronic acidA1Y3P0.81
BEMbeta-D-mannuronic acidA,B1J1N0.81
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.75
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.75
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.88
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.88
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.81
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.81
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.81
GCUD-GLUCURONIC ACIDA1HMW0.81
GCUD-GLUCURONIC ACIDA2JCQ0.81
GCUD-GLUCURONIC ACIDA3HYA0.81
GCUD-GLUCURONIC ACIDA,B2FUQ0.81
GCUD-GLUCURONIC ACIDA1DBG0.81
GCUD-GLUCURONIC ACIDA1FCV0.81
GCUD-GLUCURONIC ACIDA1OFM0.81
GCUD-GLUCURONIC ACIDA,B3E7J0.81
GCUD-GLUCURONIC ACIDA1CB80.81
GCUD-GLUCURONIC ACIDA1HV60.81
GCUD-GLUCURONIC ACIDA1HMU0.81
GCUD-GLUCURONIC ACIDA,B,C3E800.81
GCUD-GLUCURONIC ACIDA,B2VZR0.81
GCUD-GLUCURONIC ACIDA2HYA0.81
GCUD-GLUCURONIC ACIDA1OFL0.81
GCUD-GLUCURONIC ACIDA,B2W870.81
GCUD-GLUCURONIC ACIDA1MQQ0.81
GCUD-GLUCURONIC ACIDA1HM20.81
GCUD-GLUCURONIC ACIDA1HYA0.81
GCUD-GLUCURONIC ACIDA2C4S0.81
GCUD-GLUCURONIC ACIDA4HYA0.81
GCUD-GLUCURONIC ACIDA1C4S0.81
GCUD-GLUCURONIC ACIDA1HM30.81
GCUD-GLUCURONIC ACIDA1DBO0.81
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.79
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.86
DNOD-mannoseA3BDK0.84
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.79
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.76
TGUTRIGALACTURONIC ACIDA2V8K0.74
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.83
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.83
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.83
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.83
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.83
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.83
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid
A,B3E120.72
AD0DIGALACTURONIC ACIDA,B2UVF0.78
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.83
AOSD-ALLOSEA,B,C,D2I570.84
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
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.82
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.78
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.78
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.78