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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03089369

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1TIW0.75
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA3E2R0.75
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1KB00.75
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.84
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
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.83
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.83
TGUTRIGALACTURONIC ACIDA2V8K0.76
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
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)
A1X1J0.75
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
GCOGLUCONIC ACIDB,C,D1BGG0.86
GCOGLUCONIC ACIDA,B1XLF0.86
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.86
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.86
FUDD-fructoseA,B,C,D2QUN0.75
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.76
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.76
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.76
TAGD-tagatoseA,B,C,D2QUM0.75
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.8
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.8
IDRL-IDURONIC ACIDA2V380.9
IDRL-IDURONIC ACIDA1HM20.9
IDRL-IDURONIC ACIDA2ERM0.9
LFRBETA-L-FRUCTO-FURANOSEA2CGJ0.71
LFRBETA-L-FRUCTO-FURANOSEA2CGL0.71
LFRBETA-L-FRUCTO-FURANOSEA1ZX50.71
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
KO2prop-2-en-1-yl D-glycero-alpha-
D-talo-oct-2-ulopyranosidonic acid
A,B2R2H0.71
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.82
CS2D-MANNONIC ACIDA,B,C,D2QJM0.86
CS2D-MANNONIC ACIDA,B3DBN0.86
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.71
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.9
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.89
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.89
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.89
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.89
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.89
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.89
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.89
KDP2-KETO-DEOXY-GALACTOSEA2V820.75
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.76
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.76
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.76
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.76
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.76
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.76
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.76
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.76
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.76
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.76
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.86
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.86
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.87
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.87
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.87
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
2DCN0.89
AD0DIGALACTURONIC ACIDA,B2UVF0.81
LRH6-DEOXY-BETA-L-FRUCTOFURANOSEA2UYT0.7
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.78
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.78
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.78
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.78
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.78
GLOD-GLUCOSE IN LINEAR FORMA1AC00.78
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.78
GTRGALACTURONIC ACIDA1KCD0.9
GTRGALACTURONIC ACIDA1KCC0.9
GTRGALACTURONIC ACIDA1N7Q0.9
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.84
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
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.96
AOSD-ALLOSEA,B,C,D2I570.78
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.88
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.88
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.88
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.88
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
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE
A1X6U0.74
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.84
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.84
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.84
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.81
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.83
DNOD-mannoseA3BDK0.78
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.86
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.86
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.86
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.88
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.88
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.87
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.82
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.82
RNSL-RHAMNOSEA,B,C,D1X8D0.71
RNSL-RHAMNOSEA,B,C,D1DE60.71
RNSL-RHAMNOSEA,B,C,D2I560.71
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.79
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.86
FRUFRUCTOSEA1FIT0.71
FRUFRUCTOSEA,B,C,D,E,F,
G,H,S,T
3B750.71
FRUFRUCTOSEA,B,C1AF60.71
FRUFRUCTOSEA,B,C2INV0.71
FRUFRUCTOSEA1Y9G0.71
FRUFRUCTOSEA2O510.71
FRUFRUCTOSEA,B1N3P0.71
FRUFRUCTOSEA,B,C,D2HK10.71
FRUFRUCTOSEB,C,F,H,I,K,L2DD40.71
FRUFRUCTOSEA,B,C,D2I580.71
FRUFRUCTOSEA,C1LES0.71
FRUFRUCTOSEA2ADE0.71
FRUFRUCTOSEA,B3BRQ0.71
FRUFRUCTOSEA2HW10.71
FRUFRUCTOSEA2FIT0.71
FRUFRUCTOSEA3FIT0.71
FRUFRUCTOSEA,B1N3Q0.71
FRUFRUCTOSEA2DWJ0.71
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.76
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.81
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,B3CXO0.81
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.82