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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03416654

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,B2R230.84
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
2DCN0.77
ASO1,5-ANHYDROSORBITOLA1XIE0.71
ASO1,5-ANHYDROSORBITOLA3GUH0.71
ASO1,5-ANHYDROSORBITOLA,B2ASV0.71
ASO1,5-ANHYDROSORBITOLH,L2EC90.71
46M(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-
TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID
A1X1I0.71
KDEprop-2-en-1-yl 3-deoxy-beta-L-gulo-
oct-2-ulopyranosidonic acid
A2R2E0.72
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B2R1X0.72
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B2R2B0.72
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B1Q9Q0.72
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B2R230.72
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B1Q9T0.72
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B3BPC0.72
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B1Q9R0.72
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B2R1W0.72
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.87
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.87
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.87
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.87
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.87
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.87
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
CS2D-MANNONIC ACIDA,B,C,D2QJM0.85
CS2D-MANNONIC ACIDA,B3DBN0.85
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.83
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.83
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.88
LGUALPHA-L-GULURONATEA2ZAC0.9
LGUALPHA-L-GULURONATEA2ZAA0.9
LGUALPHA-L-GULURONATEA,B2QJR0.9
LGUALPHA-L-GULURONATEA2ZAB0.9
LGUALPHA-L-GULURONATEA,B1J1N0.9
LGUALPHA-L-GULURONATEA1Y3P0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.9
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.9
FUDD-fructoseA,B,C,D2QUN0.75
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.85
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.85
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.71
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1TIW0.74
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA3E2R0.74
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1KB00.74
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.79
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.79
TAGD-tagatoseA,B,C,D2QUM0.75
AD0DIGALACTURONIC ACIDA,B2UVF0.8
IDRL-IDURONIC ACIDA2V380.9
IDRL-IDURONIC ACIDA1HM20.9
IDRL-IDURONIC ACIDA2ERM0.9
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE
A1X6U0.79
GKRD-GLUCARATEA3CXT0.84
GKRD-GLUCARATEA,B1JCT0.84
MAVD-MANNURONIC ACIDA,B1J1N0.9
MAVD-MANNURONIC ACIDA1Y3P0.9
MAVD-MANNURONIC ACIDA,B,D2PYH0.9
MAVD-MANNURONIC ACIDA1Y3N0.9
MAVD-MANNURONIC ACIDA1HV60.9
RNSL-RHAMNOSEA,B,C,D1X8D0.7
RNSL-RHAMNOSEA,B,C,D1DE60.7
RNSL-RHAMNOSEA,B,C,D2I560.7
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.76
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.77
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.77
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.77
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.77
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.77
GLOD-GLUCOSE IN LINEAR FORMA1AC00.77
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.77
KDP2-KETO-DEOXY-GALACTOSEA2V820.74
GTRGALACTURONIC ACIDA1KCD0.9
GTRGALACTURONIC ACIDA1KCC0.9
GTRGALACTURONIC ACIDA1N7Q0.9
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.84
GCOGLUCONIC ACIDB,C,D1BGG0.85
GCOGLUCONIC ACIDA,B1XLF0.85
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.85
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.85
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.85
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.93
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.93
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.93
GCUD-GLUCURONIC ACIDA1HMW0.9
GCUD-GLUCURONIC ACIDA2JCQ0.9
GCUD-GLUCURONIC ACIDA3HYA0.9
GCUD-GLUCURONIC ACIDA,B2FUQ0.9
GCUD-GLUCURONIC ACIDA1DBG0.9
GCUD-GLUCURONIC ACIDA1FCV0.9
GCUD-GLUCURONIC ACIDA1OFM0.9
GCUD-GLUCURONIC ACIDA,B3E7J0.9
GCUD-GLUCURONIC ACIDA1CB80.9
GCUD-GLUCURONIC ACIDA1HV60.9
GCUD-GLUCURONIC ACIDA1HMU0.9
GCUD-GLUCURONIC ACIDA,B,C3E800.9
GCUD-GLUCURONIC ACIDA,B2VZR0.9
GCUD-GLUCURONIC ACIDA2HYA0.9
GCUD-GLUCURONIC ACIDA1OFL0.9
GCUD-GLUCURONIC ACIDA,B2W870.9
GCUD-GLUCURONIC ACIDA1MQQ0.9
GCUD-GLUCURONIC ACIDA1HM20.9
GCUD-GLUCURONIC ACIDA1HYA0.9
GCUD-GLUCURONIC ACIDA2C4S0.9
GCUD-GLUCURONIC ACIDA4HYA0.9
GCUD-GLUCURONIC ACIDA1C4S0.9
GCUD-GLUCURONIC ACIDA1HM30.9
GCUD-GLUCURONIC ACIDA1DBO0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.9
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.9
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.9
DNOD-mannoseA3BDK0.77
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.88
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.88
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.88
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.88
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.88
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.88
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.83
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.83
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.83
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.83
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.83
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.83
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.83
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.83
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.83
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.83
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.83
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.83
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.83
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.83
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.83
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.83
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.83
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.83
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.83
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.83
IDSO2-SULFO-GLUCURONIC ACID11QQP0.83
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.83
LGTL-GLUCARIC ACIDA,B,C,D3CB30.84
LGTL-GLUCARIC ACIDA,B,C2PP30.84
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.88
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.88
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.84
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.84
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.84
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG1
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF1
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH1
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.87
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.87
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.94
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.94
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.83
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.94
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.94
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.94
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.94
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.81
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.81
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
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.8
BDFBETA-D-FRUCTOPYRANOSEA1OVP0.7
BDFBETA-D-FRUCTOPYRANOSEA,B1N3Q0.7
BDFBETA-D-FRUCTOPYRANOSEB2FA10.7
AOSD-ALLOSEA,B,C,D2I570.77
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.89
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.87
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.87
KO2prop-2-en-1-yl D-glycero-alpha-
D-talo-oct-2-ulopyranosidonic acid
A,B2R2H0.7
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.79
TGUTRIGALACTURONIC ACIDA2V8K0.75
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKH0.72
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKI0.72
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.96
BEMbeta-D-mannuronic acidA2ZAA0.9
BEMbeta-D-mannuronic acidA2ZAC0.9
BEMbeta-D-mannuronic acidA2ZAB0.9
BEMbeta-D-mannuronic acidA1Y3N0.9
BEMbeta-D-mannuronic acidA1Y3P0.9
BEMbeta-D-mannuronic acidA,B1J1N0.9
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.87
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.75
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.75
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE
A1CAP0.71
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE
A1J0N0.71