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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02387895

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TGUTRIGALACTURONIC ACIDA2V8K0.81
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.91
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.91
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.72
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.72
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.95
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.95
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.95
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.95
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.95
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.95
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.79
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.95
TAGD-tagatoseA,B,C,D2QUM0.73
IN1PROPIONIC ACID 2,2-DIHYDROXY-3-
(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER
A,B4OVW0.73
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.93
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.93
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.93
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.9
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.9
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.9
GCUD-GLUCURONIC ACIDA1HMW0.93
GCUD-GLUCURONIC ACIDA2JCQ0.93
GCUD-GLUCURONIC ACIDA3HYA0.93
GCUD-GLUCURONIC ACIDA,B2FUQ0.93
GCUD-GLUCURONIC ACIDA1DBG0.93
GCUD-GLUCURONIC ACIDA1FCV0.93
GCUD-GLUCURONIC ACIDA1OFM0.93
GCUD-GLUCURONIC ACIDA,B3E7J0.93
GCUD-GLUCURONIC ACIDA1CB80.93
GCUD-GLUCURONIC ACIDA1HV60.93
GCUD-GLUCURONIC ACIDA1HMU0.93
GCUD-GLUCURONIC ACIDA,B,C3E800.93
GCUD-GLUCURONIC ACIDA,B2VZR0.93
GCUD-GLUCURONIC ACIDA2HYA0.93
GCUD-GLUCURONIC ACIDA1OFL0.93
GCUD-GLUCURONIC ACIDA,B2W870.93
GCUD-GLUCURONIC ACIDA1MQQ0.93
GCUD-GLUCURONIC ACIDA1HM20.93
GCUD-GLUCURONIC ACIDA1HYA0.93
GCUD-GLUCURONIC ACIDA2C4S0.93
GCUD-GLUCURONIC ACIDA4HYA0.93
GCUD-GLUCURONIC ACIDA1C4S0.93
GCUD-GLUCURONIC ACIDA1HM30.93
GCUD-GLUCURONIC ACIDA1DBO0.93
CBFC-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4J0.72
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE
A1CAP0.75
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE
A1J0N0.75
FUDD-fructoseA,B,C,D2QUN0.73
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.95
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.95
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.83
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.91
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.91
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.91
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.91
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.75
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.75
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.75
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.75
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.75
GLOD-GLUCOSE IN LINEAR FORMA1AC00.75
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.75
KO2prop-2-en-1-yl D-glycero-alpha-
D-talo-oct-2-ulopyranosidonic acid
A,B2R2H0.76
BEMbeta-D-mannuronic acidA2ZAA0.93
BEMbeta-D-mannuronic acidA2ZAC0.93
BEMbeta-D-mannuronic acidA2ZAB0.93
BEMbeta-D-mannuronic acidA1Y3N0.93
BEMbeta-D-mannuronic acidA1Y3P0.93
BEMbeta-D-mannuronic acidA,B1J1N0.93
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.86
KDP2-KETO-DEOXY-GALACTOSEA2V820.73
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.97
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B2R1X0.73
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B2R2B0.73
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B1Q9Q0.73
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B2R230.73
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B1Q9T0.73
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B3BPC0.73
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B1Q9R0.73
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL
A,B2R1W0.73
KDEprop-2-en-1-yl 3-deoxy-beta-L-gulo-
oct-2-ulopyranosidonic acid
A2R2E0.73
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.85
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.85
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.9
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.9
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.9
RNSL-RHAMNOSEA,B,C,D1X8D0.72
RNSL-RHAMNOSEA,B,C,D1DE60.72
RNSL-RHAMNOSEA,B,C,D2I560.72
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.86
ARI[O4]-ACETOXY-2,3-DIDEOXYFUCOSEA,B1D830.7
ARI[O4]-ACETOXY-2,3-DIDEOXYFUCOSEA,B,C,D1VAQ0.7
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.87
LGTL-GLUCARIC ACIDA,B,C,D3CB30.81
LGTL-GLUCARIC ACIDA,B,C2PP30.81
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.86
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.86
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.86
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.86
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.86
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.86
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.86
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.86
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.86
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.86
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.86
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.86
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.86
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.86
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.86
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.86
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.86
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.86
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.86
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.86
IDSO2-SULFO-GLUCURONIC ACID11QQP0.86
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.86
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.84
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.95
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.95
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.81
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.81
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.84
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.93
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.93
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)
A1X1J0.83
LGUALPHA-L-GULURONATEA2ZAC0.93
LGUALPHA-L-GULURONATEA2ZAA0.93
LGUALPHA-L-GULURONATEA,B2QJR0.93
LGUALPHA-L-GULURONATEA2ZAB0.93
LGUALPHA-L-GULURONATEA,B1J1N0.93
LGUALPHA-L-GULURONATEA1Y3P0.93
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.77
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.97
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.97
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.97
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.97
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.97
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.97
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKH0.74
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKI0.74
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.74
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.74
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.74
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.74
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.74
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.74
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.74
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.74
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.74
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.74
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
2DCN0.81
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,F,H,
K,L,T,V,Z
3A0H0.7
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.7
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.7
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.8
CS2D-MANNONIC ACIDA,B,C,D2QJM0.83
CS2D-MANNONIC ACIDA,B3DBN0.83
GKRD-GLUCARATEA3CXT0.81
GKRD-GLUCARATEA,B1JCT0.81
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.77
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.77
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.79
2GS2-O-METHYL-ALPHA-D-GALACTOPYRANOSEA,B,C,D2DTW0.7
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.7
CDGMETHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-
BETA-D-GALACTOPYRANOSIDE
A,B,C,D,E1GYK0.74
46M(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-
TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID
A1X1I0.75
GCOGLUCONIC ACIDB,C,D1BGG0.83
GCOGLUCONIC ACIDA,B1XLF0.83
AOSD-ALLOSEA,B,C,D2I570.75
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.74
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.74
GTRGALACTURONIC ACIDA1KCD0.93
GTRGALACTURONIC ACIDA1KCC0.93
GTRGALACTURONIC ACIDA1N7Q0.93
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE
A1X6U0.77
AD0DIGALACTURONIC ACIDA,B2UVF0.86
DNOD-mannoseA3BDK0.75
IDRL-IDURONIC ACIDA2V380.93
IDRL-IDURONIC ACIDA1HM20.93
IDRL-IDURONIC ACIDA2ERM0.93
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,F,I,J,
K,L,M,X
1JB00.7
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.7
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,L,R1Q900.7
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.7
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.88
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.81
MAVD-MANNURONIC ACIDA,B1J1N0.93
MAVD-MANNURONIC ACIDA1Y3P0.93
MAVD-MANNURONIC ACIDA,B,D2PYH0.93
MAVD-MANNURONIC ACIDA1Y3N0.93
MAVD-MANNURONIC ACIDA1HV60.93
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.86
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.86
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.93
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.79