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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02431198

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
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
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.74
AOSD-ALLOSEA,B,C,D2I570.76
TAGD-tagatoseA,B,C,D2QUM0.74
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.78
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.74
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.74
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.74
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.74
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.74
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.74
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.74
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.74
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.74
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.74
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.74
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.74
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.74
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.74
IDSO2-SULFO-GLUCURONIC ACID11QQP0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.74
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.72
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.72
LGTL-GLUCARIC ACIDA,B,C,D3CB30.83
LGTL-GLUCARIC ACIDA,B,C2PP30.83
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
FUDD-fructoseA,B,C,D2QUN0.74
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.86
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.86
LGUALPHA-L-GULURONATEA2ZAC0.8
LGUALPHA-L-GULURONATEA2ZAA0.8
LGUALPHA-L-GULURONATEA,B2QJR0.8
LGUALPHA-L-GULURONATEA2ZAB0.8
LGUALPHA-L-GULURONATEA,B1J1N0.8
LGUALPHA-L-GULURONATEA1Y3P0.8
DNOD-mannoseA3BDK0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.8
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.81
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.76
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.74
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.75
CS2D-MANNONIC ACIDA,B,C,D2QJM0.84
CS2D-MANNONIC ACIDA,B3DBN0.84
MAVD-MANNURONIC ACIDA,B1J1N0.8
MAVD-MANNURONIC ACIDA1Y3P0.8
MAVD-MANNURONIC ACIDA,B,D2PYH0.8
MAVD-MANNURONIC ACIDA1Y3N0.8
MAVD-MANNURONIC ACIDA1HV60.8
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.82
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.82
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.82
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
2DCN0.74
IDRL-IDURONIC ACIDA2V380.8
IDRL-IDURONIC ACIDA1HM20.8
IDRL-IDURONIC ACIDA2ERM0.8
RNSL-RHAMNOSEA,B,C,D1X8D0.7
RNSL-RHAMNOSEA,B,C,D1DE60.7
RNSL-RHAMNOSEA,B,C,D2I560.7
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.8
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.8
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.8
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.8
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.8
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.8
GCOGLUCONIC ACIDB,C,D1BGG0.84
GCOGLUCONIC ACIDA,B1XLF0.84
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid
A,B3E120.76
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.79
KDP2-KETO-DEOXY-GALACTOSEA2V820.74
GTRGALACTURONIC ACIDA1KCD0.8
GTRGALACTURONIC ACIDA1KCC0.8
GTRGALACTURONIC ACIDA1N7Q0.8
GCUD-GLUCURONIC ACIDA1HMW0.8
GCUD-GLUCURONIC ACIDA2JCQ0.8
GCUD-GLUCURONIC ACIDA3HYA0.8
GCUD-GLUCURONIC ACIDA,B2FUQ0.8
GCUD-GLUCURONIC ACIDA1DBG0.8
GCUD-GLUCURONIC ACIDA1FCV0.8
GCUD-GLUCURONIC ACIDA1OFM0.8
GCUD-GLUCURONIC ACIDA,B3E7J0.8
GCUD-GLUCURONIC ACIDA1CB80.8
GCUD-GLUCURONIC ACIDA1HV60.8
GCUD-GLUCURONIC ACIDA1HMU0.8
GCUD-GLUCURONIC ACIDA,B,C3E800.8
GCUD-GLUCURONIC ACIDA,B2VZR0.8
GCUD-GLUCURONIC ACIDA2HYA0.8
GCUD-GLUCURONIC ACIDA1OFL0.8
GCUD-GLUCURONIC ACIDA,B2W870.8
GCUD-GLUCURONIC ACIDA1MQQ0.8
GCUD-GLUCURONIC ACIDA1HM20.8
GCUD-GLUCURONIC ACIDA1HYA0.8
GCUD-GLUCURONIC ACIDA2C4S0.8
GCUD-GLUCURONIC ACIDA4HYA0.8
GCUD-GLUCURONIC ACIDA1C4S0.8
GCUD-GLUCURONIC ACIDA1HM30.8
GCUD-GLUCURONIC ACIDA1DBO0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.8
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.8
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.8
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.79
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.79
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.74
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.74
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.8
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.8
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.78
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.78
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.81
AD0DIGALACTURONIC ACIDA,B2UVF0.74
TGUTRIGALACTURONIC ACIDA2V8K0.7
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.83
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
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE
A1X6U0.73
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.72
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.77
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.77
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.77
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.79
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.8
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.8
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.79
GKRD-GLUCARATEA3CXT0.83
GKRD-GLUCARATEA,B1JCT0.83
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.85
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.83
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID
A,B2NXG0.72
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
2NX30.72
BEMbeta-D-mannuronic acidA2ZAA0.8
BEMbeta-D-mannuronic acidA2ZAC0.8
BEMbeta-D-mannuronic acidA2ZAB0.8
BEMbeta-D-mannuronic acidA1Y3N0.8
BEMbeta-D-mannuronic acidA1Y3P0.8
BEMbeta-D-mannuronic acidA,B1J1N0.8
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
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.71
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.75
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.75
KO2prop-2-en-1-yl D-glycero-alpha-
D-talo-oct-2-ulopyranosidonic acid
A,B2R2H0.72
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.75