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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02235281

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.84
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.74
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
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.78
IDRL-IDURONIC ACIDA2V380.76
IDRL-IDURONIC ACIDA1HM20.76
IDRL-IDURONIC ACIDA2ERM0.76
MAVD-MANNURONIC ACIDA,B1J1N0.76
MAVD-MANNURONIC ACIDA1Y3P0.76
MAVD-MANNURONIC ACIDA,B,D2PYH0.76
MAVD-MANNURONIC ACIDA1Y3N0.76
MAVD-MANNURONIC ACIDA1HV60.76
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.73
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.73
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.73
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.73
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.73
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.73
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.73
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.73
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.73
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.73
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.73
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.73
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.73
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.73
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.73
IDSO2-SULFO-GLUCURONIC ACID11QQP0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.73
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.79
GTRGALACTURONIC ACIDA1KCD0.76
GTRGALACTURONIC ACIDA1KCC0.76
GTRGALACTURONIC ACIDA1N7Q0.76
TGUTRIGALACTURONIC ACIDA2V8K0.79
CDGMETHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-
BETA-D-GALACTOPYRANOSIDE
A,B,C,D,E1GYK0.76
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)
A1X1J0.86
LGUALPHA-L-GULURONATEA2ZAC0.76
LGUALPHA-L-GULURONATEA2ZAA0.76
LGUALPHA-L-GULURONATEA,B2QJR0.76
LGUALPHA-L-GULURONATEA2ZAB0.76
LGUALPHA-L-GULURONATEA,B1J1N0.76
LGUALPHA-L-GULURONATEA1Y3P0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.76
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.76
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE
A1CAP0.78
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE
A1J0N0.78
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.71
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.71
46M(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-
TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID
A1X1I0.78
AD0DIGALACTURONIC ACIDA,B2UVF0.84
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.71
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.71
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.71
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.73
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.73
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.73
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.73
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.73
BEMbeta-D-mannuronic acidA2ZAA0.76
BEMbeta-D-mannuronic acidA2ZAC0.76
BEMbeta-D-mannuronic acidA2ZAB0.76
BEMbeta-D-mannuronic acidA1Y3N0.76
BEMbeta-D-mannuronic acidA1Y3P0.76
BEMbeta-D-mannuronic acidA,B1J1N0.76
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.81
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.81
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.73
GCUD-GLUCURONIC ACIDA1HMW0.76
GCUD-GLUCURONIC ACIDA2JCQ0.76
GCUD-GLUCURONIC ACIDA3HYA0.76
GCUD-GLUCURONIC ACIDA,B2FUQ0.76
GCUD-GLUCURONIC ACIDA1DBG0.76
GCUD-GLUCURONIC ACIDA1FCV0.76
GCUD-GLUCURONIC ACIDA1OFM0.76
GCUD-GLUCURONIC ACIDA,B3E7J0.76
GCUD-GLUCURONIC ACIDA1CB80.76
GCUD-GLUCURONIC ACIDA1HV60.76
GCUD-GLUCURONIC ACIDA1HMU0.76
GCUD-GLUCURONIC ACIDA,B,C3E800.76
GCUD-GLUCURONIC ACIDA,B2VZR0.76
GCUD-GLUCURONIC ACIDA2HYA0.76
GCUD-GLUCURONIC ACIDA1OFL0.76
GCUD-GLUCURONIC ACIDA,B2W870.76
GCUD-GLUCURONIC ACIDA1MQQ0.76
GCUD-GLUCURONIC ACIDA1HM20.76
GCUD-GLUCURONIC ACIDA1HYA0.76
GCUD-GLUCURONIC ACIDA2C4S0.76
GCUD-GLUCURONIC ACIDA4HYA0.76
GCUD-GLUCURONIC ACIDA1C4S0.76
GCUD-GLUCURONIC ACIDA1HM30.76
GCUD-GLUCURONIC ACIDA1DBO0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.76
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.76
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.76
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.81
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.81
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.79