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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02379009

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.83
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.83
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.83
BEMbeta-D-mannuronic acidA2ZAA0.77
BEMbeta-D-mannuronic acidA2ZAC0.77
BEMbeta-D-mannuronic acidA2ZAB0.77
BEMbeta-D-mannuronic acidA1Y3N0.77
BEMbeta-D-mannuronic acidA1Y3P0.77
BEMbeta-D-mannuronic acidA,B1J1N0.77
LGTL-GLUCARIC ACIDA,B,C,D3CB30.83
LGTL-GLUCARIC ACIDA,B,C2PP30.83
TAGD-tagatoseA,B,C,D2QUM0.84
CS2D-MANNONIC ACIDA,B,C,D2QJM0.85
CS2D-MANNONIC ACIDA,B3DBN0.85
FUDD-fructoseA,B,C,D2QUN0.84
DNOD-mannoseA3BDK0.94
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.79
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.79
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.79
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.81
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.79
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.79
AOSD-ALLOSEA,B,C,D2I570.94
XULD-XYLULOSEA3CWH0.75
XULD-XYLULOSEA1XII0.75
XULD-XYLULOSEA,B2ITM0.75
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.72
P6T1,6-di-O-phosphono-D-tagatoseA,B3GAY0.73
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
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.77
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.77
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.77
GCUD-GLUCURONIC ACIDA1HMW0.77
GCUD-GLUCURONIC ACIDA2JCQ0.77
GCUD-GLUCURONIC ACIDA3HYA0.77
GCUD-GLUCURONIC ACIDA,B2FUQ0.77
GCUD-GLUCURONIC ACIDA1DBG0.77
GCUD-GLUCURONIC ACIDA1FCV0.77
GCUD-GLUCURONIC ACIDA1OFM0.77
GCUD-GLUCURONIC ACIDA,B3E7J0.77
GCUD-GLUCURONIC ACIDA1CB80.77
GCUD-GLUCURONIC ACIDA1HV60.77
GCUD-GLUCURONIC ACIDA1HMU0.77
GCUD-GLUCURONIC ACIDA,B,C3E800.77
GCUD-GLUCURONIC ACIDA,B2VZR0.77
GCUD-GLUCURONIC ACIDA2HYA0.77
GCUD-GLUCURONIC ACIDA1OFL0.77
GCUD-GLUCURONIC ACIDA,B2W870.77
GCUD-GLUCURONIC ACIDA1MQQ0.77
GCUD-GLUCURONIC ACIDA1HM20.77
GCUD-GLUCURONIC ACIDA1HYA0.77
GCUD-GLUCURONIC ACIDA2C4S0.77
GCUD-GLUCURONIC ACIDA4HYA0.77
GCUD-GLUCURONIC ACIDA1C4S0.77
GCUD-GLUCURONIC ACIDA1HM30.77
GCUD-GLUCURONIC ACIDA1DBO0.77
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.76
KDP2-KETO-DEOXY-GALACTOSEA2V820.74
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ0.73
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD0.73
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI0.73
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG0.73
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF0.73
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD0.73
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG0.73
GCOGLUCONIC ACIDB,C,D1BGG0.85
GCOGLUCONIC ACIDA,B1XLF0.85
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.75
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.75
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.82
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.71
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.71
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.74
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.74
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.74
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.85
R525-O-phosphono-D-riboseA,B,C,D,E2VVP0.72
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.83
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.81
GTRGALACTURONIC ACIDA1KCD0.77
GTRGALACTURONIC ACIDA1KCC0.77
GTRGALACTURONIC ACIDA1N7Q0.77
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.87
RNSL-RHAMNOSEA,B,C,D1X8D0.9
RNSL-RHAMNOSEA,B,C,D1DE60.9
RNSL-RHAMNOSEA,B,C,D2I560.9
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.79
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.79
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.79
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.79
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.79
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.79
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.76
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.76
MAVD-MANNURONIC ACIDA,B1J1N0.77
MAVD-MANNURONIC ACIDA1Y3P0.77
MAVD-MANNURONIC ACIDA,B,D2PYH0.77
MAVD-MANNURONIC ACIDA1Y3N0.77
MAVD-MANNURONIC ACIDA1HV60.77
P6F1,6-di-O-phosphono-D-fructoseA,B3GB60.73
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.75
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.75
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.75
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.75
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.75
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.75
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.75
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.75
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.75
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.75
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.79
IDRL-IDURONIC ACIDA2V380.77
IDRL-IDURONIC ACIDA1HM20.77
IDRL-IDURONIC ACIDA2ERM0.77
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
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
2DCN0.71
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.94
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.94
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.94
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.94
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.94
GLOD-GLUCOSE IN LINEAR FORMA1AC00.94
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.94
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.82
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.82
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.82
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.82
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.82
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.82
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.77
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.77
LGUALPHA-L-GULURONATEA2ZAC0.77
LGUALPHA-L-GULURONATEA2ZAA0.77
LGUALPHA-L-GULURONATEA,B2QJR0.77
LGUALPHA-L-GULURONATEA2ZAB0.77
LGUALPHA-L-GULURONATEA,B1J1N0.77
LGUALPHA-L-GULURONATEA1Y3P0.77
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.71
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
GKRD-GLUCARATEA3CXT0.83
GKRD-GLUCARATEA,B1JCT0.83
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.82
XLSD-XYLOSE (LINEAR FORM)A2BRP0.82
XLSD-XYLOSE (LINEAR FORM)A3XIS0.82
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.82
XLSD-XYLOSE (LINEAR FORM)A4XIS0.82
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.82
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.82
XLSD-XYLOSE (LINEAR FORM)A8XIA0.82
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.82
XLSD-XYLOSE (LINEAR FORM)A1XIC0.82
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.88
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.85
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.76
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.76
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.71
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.71
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.71
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.71
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.71
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.71
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.71
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.71
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.71
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.71
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.71
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.71
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.71
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.71
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.71
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.71
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.71
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.71
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.71
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.71
IDSO2-SULFO-GLUCURONIC ACID11QQP0.71
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.71
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.75
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.75