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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03405174

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.82
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.82
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.82
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.84
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.85
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.85
DNOD-mannoseA3BDK0.79
GCUD-GLUCURONIC ACIDA1HMW0.85
GCUD-GLUCURONIC ACIDA2JCQ0.85
GCUD-GLUCURONIC ACIDA3HYA0.85
GCUD-GLUCURONIC ACIDA,B2FUQ0.85
GCUD-GLUCURONIC ACIDA1DBG0.85
GCUD-GLUCURONIC ACIDA1FCV0.85
GCUD-GLUCURONIC ACIDA1OFM0.85
GCUD-GLUCURONIC ACIDA,B3E7J0.85
GCUD-GLUCURONIC ACIDA1CB80.85
GCUD-GLUCURONIC ACIDA1HV60.85
GCUD-GLUCURONIC ACIDA1HMU0.85
GCUD-GLUCURONIC ACIDA,B,C3E800.85
GCUD-GLUCURONIC ACIDA,B2VZR0.85
GCUD-GLUCURONIC ACIDA2HYA0.85
GCUD-GLUCURONIC ACIDA1OFL0.85
GCUD-GLUCURONIC ACIDA,B2W870.85
GCUD-GLUCURONIC ACIDA1MQQ0.85
GCUD-GLUCURONIC ACIDA1HM20.85
GCUD-GLUCURONIC ACIDA1HYA0.85
GCUD-GLUCURONIC ACIDA2C4S0.85
GCUD-GLUCURONIC ACIDA4HYA0.85
GCUD-GLUCURONIC ACIDA1C4S0.85
GCUD-GLUCURONIC ACIDA1HM30.85
GCUD-GLUCURONIC ACIDA1DBO0.85
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.86
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.71
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.71
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.71
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.71
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.71
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.71
AOSD-ALLOSEA,B,C,D2I570.79
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.81
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.88
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.88
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.88
GKRD-GLUCARATEA3CXT0.86
GKRD-GLUCARATEA,B1JCT0.86
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
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.7
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.7
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.7
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.7
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.7
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.7
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
2DCN0.84
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.87
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.89
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.89
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.89
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.89
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.79
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.79
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.77
BEMbeta-D-mannuronic acidA2ZAA0.85
BEMbeta-D-mannuronic acidA2ZAC0.85
BEMbeta-D-mannuronic acidA2ZAB0.85
BEMbeta-D-mannuronic acidA1Y3N0.85
BEMbeta-D-mannuronic acidA1Y3P0.85
BEMbeta-D-mannuronic acidA,B1J1N0.85
AD0DIGALACTURONIC ACIDA,B2UVF0.76
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
RNSL-RHAMNOSEA,B,C,D1X8D0.72
RNSL-RHAMNOSEA,B,C,D1DE60.72
RNSL-RHAMNOSEA,B,C,D2I560.72
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.84
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.84
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
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.89
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.89
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.77
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.77
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid
A,B3E120.73
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.82
ICTISOCITRIC ACIDA1IDE0.7
ICTISOCITRIC ACIDA,B2UXR0.7
ICTISOCITRIC ACIDA,B1XKD0.7
ICTISOCITRIC ACIDA8ICD0.7
ICTISOCITRIC ACIDA,B,D1XG40.7
ICTISOCITRIC ACIDA1CW70.7
ICTISOCITRIC ACIDA1GRO0.7
ICTISOCITRIC ACIDA1W8G0.7
ICTISOCITRIC ACIDA5ICD0.7
ICTISOCITRIC ACIDA,B1LWD0.7
ICTISOCITRIC ACIDA,B,C,D1ITW0.7
ICTISOCITRIC ACIDA,B,C,D1T0L0.7
ICTISOCITRIC ACIDA1PB10.7
ICTISOCITRIC ACIDA1GRP0.7
ICTISOCITRIC ACIDA1CW10.7
ICTISOCITRIC ACIDA,B,C,D,E,F2QFW0.7
ICTISOCITRIC ACIDA1B0J0.7
ICTISOCITRIC ACIDA1W7F0.7
ICTISOCITRIC ACIDA7ACN0.7
ICTISOCITRIC ACIDA1C970.7
ICTISOCITRIC ACIDA1P8F0.7
ICTISOCITRIC ACIDA2CSG0.7
TAGD-tagatoseA,B,C,D2QUM0.8
TGUTRIGALACTURONIC ACIDA2V8K0.72
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.91
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.85
LGUALPHA-L-GULURONATEA2ZAC0.85
LGUALPHA-L-GULURONATEA2ZAA0.85
LGUALPHA-L-GULURONATEA,B2QJR0.85
LGUALPHA-L-GULURONATEA2ZAB0.85
LGUALPHA-L-GULURONATEA,B1J1N0.85
LGUALPHA-L-GULURONATEA1Y3P0.85
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.8
KDP2-KETO-DEOXY-GALACTOSEA2V820.79
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.72
FUDD-fructoseA,B,C,D2QUN0.8
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.89
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.89
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.89
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.81
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.81
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.83
GCOGLUCONIC ACIDB,C,D1BGG0.87
GCOGLUCONIC ACIDA,B1XLF0.87
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.91
MAVD-MANNURONIC ACIDA,B1J1N0.85
MAVD-MANNURONIC ACIDA1Y3P0.85
MAVD-MANNURONIC ACIDA,B,D2PYH0.85
MAVD-MANNURONIC ACIDA1Y3N0.85
MAVD-MANNURONIC ACIDA1HV60.85
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1TIW0.76
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA3E2R0.76
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1KB00.76
IDRL-IDURONIC ACIDA2V380.85
IDRL-IDURONIC ACIDA1HM20.85
IDRL-IDURONIC ACIDA2ERM0.85
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.84
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.79
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.79
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.79
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.79
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.79
GLOD-GLUCOSE IN LINEAR FORMA1AC00.79
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.79
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.79
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.79
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.79
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.79
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.79
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.79
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.79
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.79
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.79
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.79
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.79
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.79
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.79
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.79
IDSO2-SULFO-GLUCURONIC ACID11QQP0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.79
CS2D-MANNONIC ACIDA,B,C,D2QJM0.87
CS2D-MANNONIC ACIDA,B3DBN0.87
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.77
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.77
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.77
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.77
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.77
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.77
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.77
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.77
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.77
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.77
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.73
LGTL-GLUCARIC ACIDA,B,C,D3CB30.86
LGTL-GLUCARIC ACIDA,B,C2PP30.86
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE
A1X6U0.7
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.8
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.8
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.79
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.84
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.84
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)
A1X1J0.71
XULD-XYLULOSEA3CWH0.71
XULD-XYLULOSEA1XII0.71
XULD-XYLULOSEA,B2ITM0.71
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.81
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.81
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.72
GTRGALACTURONIC ACIDA1KCD0.85
GTRGALACTURONIC ACIDA1KCC0.85
GTRGALACTURONIC ACIDA1N7Q0.85
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.76