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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03421178

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.84
AOSD-ALLOSEA,B,C,D2I570.76
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.86
LGTL-GLUCARIC ACIDA,B,C,D3CB30.83
LGTL-GLUCARIC ACIDA,B,C2PP30.83
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.81
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.81
LGUALPHA-L-GULURONATEA2ZAC0.83
LGUALPHA-L-GULURONATEA2ZAA0.83
LGUALPHA-L-GULURONATEA,B2QJR0.83
LGUALPHA-L-GULURONATEA2ZAB0.83
LGUALPHA-L-GULURONATEA,B1J1N0.83
LGUALPHA-L-GULURONATEA1Y3P0.83
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.86
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.86
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.86
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.86
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.88
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.84
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.84
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)
A1X1J0.74
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.83
RNSL-RHAMNOSEA,B,C,D1X8D0.73
RNSL-RHAMNOSEA,B,C,D1DE60.73
RNSL-RHAMNOSEA,B,C,D2I560.73
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.86
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.86
DNOD-mannoseA3BDK0.76
KDP2-KETO-DEOXY-GALACTOSEA2V820.77
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.81
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.71
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.78
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.78
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1TIW0.74
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA3E2R0.74
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1KB00.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.77
CS2D-MANNONIC ACIDA,B,C,D2QJM0.84
CS2D-MANNONIC ACIDA,B3DBN0.84
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.77
GTRGALACTURONIC ACIDA1KCD0.83
GTRGALACTURONIC ACIDA1KCC0.83
GTRGALACTURONIC ACIDA1N7Q0.83
TAGD-tagatoseA,B,C,D2QUM0.77
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.84
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.84
FUDD-fructoseA,B,C,D2QUN0.77
GCOGLUCONIC ACIDB,C,D1BGG0.84
GCOGLUCONIC ACIDA,B1XLF0.84
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.79
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.79
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.79
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.77
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE
A1X6U0.71
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.83
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.83
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.83
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.83
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.83
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.83
IDRL-IDURONIC ACIDA2V380.83
IDRL-IDURONIC ACIDA1HM20.83
IDRL-IDURONIC ACIDA2ERM0.83
MAVD-MANNURONIC ACIDA,B1J1N0.83
MAVD-MANNURONIC ACIDA1Y3P0.83
MAVD-MANNURONIC ACIDA,B,D2PYH0.83
MAVD-MANNURONIC ACIDA1Y3N0.83
MAVD-MANNURONIC ACIDA1HV60.83
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.84
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.76
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.76
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.84
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.88
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.82
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.81
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid
A,B3E120.74
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.84
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
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.8
GCUD-GLUCURONIC ACIDA1HMW0.83
GCUD-GLUCURONIC ACIDA2JCQ0.83
GCUD-GLUCURONIC ACIDA3HYA0.83
GCUD-GLUCURONIC ACIDA,B2FUQ0.83
GCUD-GLUCURONIC ACIDA1DBG0.83
GCUD-GLUCURONIC ACIDA1FCV0.83
GCUD-GLUCURONIC ACIDA1OFM0.83
GCUD-GLUCURONIC ACIDA,B3E7J0.83
GCUD-GLUCURONIC ACIDA1CB80.83
GCUD-GLUCURONIC ACIDA1HV60.83
GCUD-GLUCURONIC ACIDA1HMU0.83
GCUD-GLUCURONIC ACIDA,B,C3E800.83
GCUD-GLUCURONIC ACIDA,B2VZR0.83
GCUD-GLUCURONIC ACIDA2HYA0.83
GCUD-GLUCURONIC ACIDA1OFL0.83
GCUD-GLUCURONIC ACIDA,B2W870.83
GCUD-GLUCURONIC ACIDA1MQQ0.83
GCUD-GLUCURONIC ACIDA1HM20.83
GCUD-GLUCURONIC ACIDA1HYA0.83
GCUD-GLUCURONIC ACIDA2C4S0.83
GCUD-GLUCURONIC ACIDA4HYA0.83
GCUD-GLUCURONIC ACIDA1C4S0.83
GCUD-GLUCURONIC ACIDA1HM30.83
GCUD-GLUCURONIC ACIDA1DBO0.83
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.83
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.83
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.83
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
2DCN0.82
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.76
TGUTRIGALACTURONIC ACIDA2V8K0.73
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.7
AD0DIGALACTURONIC ACIDA,B2UVF0.77
BEMbeta-D-mannuronic acidA2ZAA0.83
BEMbeta-D-mannuronic acidA2ZAC0.83
BEMbeta-D-mannuronic acidA2ZAB0.83
BEMbeta-D-mannuronic acidA1Y3N0.83
BEMbeta-D-mannuronic acidA1Y3P0.83
BEMbeta-D-mannuronic acidA,B1J1N0.83
GKRD-GLUCARATEA3CXT0.83
GKRD-GLUCARATEA,B1JCT0.83
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
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.86
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.86
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.86
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.76
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.76
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.76
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.76
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.76
GLOD-GLUCOSE IN LINEAR FORMA1AC00.76
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.76
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.76
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.76
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.76
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.76
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.76
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.76
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.76
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.76
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.76
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.76
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.76
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.76
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.76
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.76
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.76
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.76
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.76
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.76
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.76
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.76
IDSO2-SULFO-GLUCURONIC ACID11QQP0.76
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.76
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.75
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.75