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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03568447

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.74
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
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.84
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.77
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.77
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.8
GTRGALACTURONIC ACIDA1KCD0.79
GTRGALACTURONIC ACIDA1KCC0.79
GTRGALACTURONIC ACIDA1N7Q0.79
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.78
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.71
KDP2-KETO-DEOXY-GALACTOSEA2V820.7
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.73
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.77
XLSD-XYLOSE (LINEAR FORM)A2BRP0.77
XLSD-XYLOSE (LINEAR FORM)A3XIS0.77
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.77
XLSD-XYLOSE (LINEAR FORM)A4XIS0.77
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.77
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.77
XLSD-XYLOSE (LINEAR FORM)A8XIA0.77
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.77
XLSD-XYLOSE (LINEAR FORM)A1XIC0.77
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.89
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.89
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.89
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.89
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.89
GLOD-GLUCOSE IN LINEAR FORMA1AC00.89
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.89
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
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.75
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.75
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.81
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.81
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.81
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.71
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.71
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.77
IDRL-IDURONIC ACIDA2V380.79
IDRL-IDURONIC ACIDA1HM20.79
IDRL-IDURONIC ACIDA2ERM0.79
MAVD-MANNURONIC ACIDA,B1J1N0.79
MAVD-MANNURONIC ACIDA1Y3P0.79
MAVD-MANNURONIC ACIDA,B,D2PYH0.79
MAVD-MANNURONIC ACIDA1Y3N0.79
MAVD-MANNURONIC ACIDA1HV60.79
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.75
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.78
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.78
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.78
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.78
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.78
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.78
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
2DCN0.78
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.79
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.79
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.79
LGTL-GLUCARIC ACIDA,B,C,D3CB30.79
LGTL-GLUCARIC ACIDA,B,C2PP30.79
LGUALPHA-L-GULURONATEA2ZAC0.79
LGUALPHA-L-GULURONATEA2ZAA0.79
LGUALPHA-L-GULURONATEA,B2QJR0.79
LGUALPHA-L-GULURONATEA2ZAB0.79
LGUALPHA-L-GULURONATEA,B1J1N0.79
LGUALPHA-L-GULURONATEA1Y3P0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.79
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.77
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.71
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.71
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.71
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.71
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.71
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.71
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.71
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.71
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.71
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.71
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.8
AD0DIGALACTURONIC ACIDA,B2UVF0.71
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.75
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.75
XULD-XYLULOSEA3CWH0.7
XULD-XYLULOSEA1XII0.7
XULD-XYLULOSEA,B2ITM0.7
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.76
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.76
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.76
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
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.77
CS2D-MANNONIC ACIDA,B,C,D2QJM0.8
CS2D-MANNONIC ACIDA,B3DBN0.8
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.84
BEMbeta-D-mannuronic acidA2ZAA0.79
BEMbeta-D-mannuronic acidA2ZAC0.79
BEMbeta-D-mannuronic acidA2ZAB0.79
BEMbeta-D-mannuronic acidA1Y3N0.79
BEMbeta-D-mannuronic acidA1Y3P0.79
BEMbeta-D-mannuronic acidA,B1J1N0.79
GKRD-GLUCARATEA3CXT0.79
GKRD-GLUCARATEA,B1JCT0.79
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.7
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.7
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.7
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.7
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.7
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.7
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.79
TAGD-tagatoseA,B,C,D2QUM0.8
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.73
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.73
FUDD-fructoseA,B,C,D2QUN0.8
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
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.83
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.83
RNSL-RHAMNOSEA,B,C,D1X8D0.81
RNSL-RHAMNOSEA,B,C,D1DE60.81
RNSL-RHAMNOSEA,B,C,D2I560.81
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.71
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.75
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.75
AOSD-ALLOSEA,B,C,D2I570.89
GCOGLUCONIC ACIDB,C,D1BGG0.8
GCOGLUCONIC ACIDA,B1XLF0.8
GCUD-GLUCURONIC ACIDA1HMW0.79
GCUD-GLUCURONIC ACIDA2JCQ0.79
GCUD-GLUCURONIC ACIDA3HYA0.79
GCUD-GLUCURONIC ACIDA,B2FUQ0.79
GCUD-GLUCURONIC ACIDA1DBG0.79
GCUD-GLUCURONIC ACIDA1FCV0.79
GCUD-GLUCURONIC ACIDA1OFM0.79
GCUD-GLUCURONIC ACIDA,B3E7J0.79
GCUD-GLUCURONIC ACIDA1CB80.79
GCUD-GLUCURONIC ACIDA1HV60.79
GCUD-GLUCURONIC ACIDA1HMU0.79
GCUD-GLUCURONIC ACIDA,B,C3E800.79
GCUD-GLUCURONIC ACIDA,B2VZR0.79
GCUD-GLUCURONIC ACIDA2HYA0.79
GCUD-GLUCURONIC ACIDA1OFL0.79
GCUD-GLUCURONIC ACIDA,B2W870.79
GCUD-GLUCURONIC ACIDA1MQQ0.79
GCUD-GLUCURONIC ACIDA1HM20.79
GCUD-GLUCURONIC ACIDA1HYA0.79
GCUD-GLUCURONIC ACIDA2C4S0.79
GCUD-GLUCURONIC ACIDA4HYA0.79
GCUD-GLUCURONIC ACIDA1C4S0.79
GCUD-GLUCURONIC ACIDA1HM30.79
GCUD-GLUCURONIC ACIDA1DBO0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.79
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.79
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.84
DNOD-mannoseA3BDK0.89
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
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.71